SCHEMBL96013

SCHEMBL96013

CC(c1ccccc1)n1nnnc1C[O]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
CYP2D6 P10635 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
DAGLA Q9Y4D2 2/20 0.38
CNR2 P34972 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ROCK2 O75116 1/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL8881199 0.88 DAGLA (0.39) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL96014 0.84 NPSR1 (0.40) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL8881202 0.81 DAGLA (0.39) MEN1KMT2ANPSR1HSD17B10LMNA
SCHEMBL24038267 0.76 MEN1 (0.46) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL12844387 0.76 MEN1 (0.46) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL9208351 0.75 MCOLN2 (0.45) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL7317875 0.75 FAAH (0.36) FAAHMEN1KMT2ANPSR1LMNA
SCHEMBL9872410 0.75 CYP2D6 (0.41) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL12141917 0.75 MCOLN2 (0.47) FAAHMEN1KMT2ANPSR1HSD17B10
SCHEMBL4405441 0.67 CNR2 (0.52) FAAHMEN1KMT2AMCOLN2CYP2D6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB FAAH 4020/4885MEN1 4401/4885KMT2A 1059/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 FAAH 3506/4885MEN1 3912/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 FAAH 3506/4885MEN1 3912/4885KMT2A 2732/4885

“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.