SCHEMBL419619

SCHEMBL419619

CCOC(=O)Cn1cc(CC#N)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
ALDH1A1 P00352 6/20 0.60
LMNA P02545 1/20 0.59
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 1/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.51
CRHBP P24387 1/20 0.51
KMT2A Q03164 1/20 0.51
CRHR2 Q13324 1/20 0.51
CREBBP Q92793 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13490809 0.87 ALDH1A1 (0.69) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL18171795 0.84 ALDH1A1 (0.66) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL28985491 0.82 ALDH1A1 (0.63) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL8139631 0.82 L3MBTL1 (0.64) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL444328 0.81 STAT3 (0.65) MAPTALDH1A1KDM4EALOX5MEN1
SCHEMBL28247078 0.80 PRMT5 (0.48) MAPTALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL8528645 0.80 ALDH1A1 (0.71) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL28428521 0.78 ALDH1A1 (0.58) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL10244867 0.78 CYP19A1 (0.50) MAPTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2086881 0.78 KDM4E (0.76) MAPTALDH1A1NPSR1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
US-8163932-B2 Substituted indolealkanoic acids ALINEA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8163932-B2 Substituted indolealkanoic acids ALINEA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100324039-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100324039-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100137301-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-06-03 US disclosed
US-20100137301-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-06-03 US disclosed
US-7659269-B2 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2010-02-09 US disclosed
US-7659269-B2 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2010-02-09 US disclosed
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2008-09-04 US disclosed
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2008-09-04 US disclosed
US-7304079-B2 Preparing 3-benzothiazolylalkyl-1-indolylacetic acids and esters by cyclizing a 3-(anilinothiocarbonylalkyl)-1-indolylacetic ester with potassium ferricyanide or sodium hydride, optionally deprotecting the acid group; aldose reductase inhibitors for diabetic complications; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2007-12-04 US disclosed
US-7304079-B2 Preparing 3-benzothiazolylalkyl-1-indolylacetic acids and esters by cyclizing a 3-(anilinothiocarbonylalkyl)-1-indolylacetic ester with potassium ferricyanide or sodium hydride, optionally deprotecting the acid group; aldose reductase inhibitors for diabetic complications; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2007-12-04 US disclosed
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2007-04-26 US disclosed
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2007-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA MAPT 4550/4885ALDH1A1 513/4885LMNA 4301/4885
US-20100324039-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT MAPT 4218/4885ALDH1A1 338/4885LMNA 3538/4885
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA MAPT 4550/4885ALDH1A1 513/4885LMNA 4301/4885
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS GPR119, AANAT, AADAT MAPT 4218/4885ALDH1A1 338/4885LMNA 3538/4885
US-20100137301-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT MAPT 4218/4885ALDH1A1 338/4885LMNA 3538/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT MAPT 4218/4885ALDH1A1 338/4885LMNA 3538/4885
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction AKR1C3, AKR1C2, AKR1B1 MAPT 334/4885ALDH1A1 31/4885LMNA 3893/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.