SCHEMBL2997463

SCHEMBL2997463

COc1ccc(-c2cc3c(n2-c2nc(C(=O)O)cs2)CCC(C(F)(F)F)C3)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
PTGER1 P34995 6/20 0.43
KDM4E B2RXH2 6/20 0.41
MAPT P10636 2/20 0.41
GALR3 O60755 1/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
LDHA P00338 5/20 0.36
CHEK1 O14757 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL14403826 0.86 ALDH1A1 (0.44) ALDH1A1PTGER1KDM4EMAPTGALR3
SCHEMBL2998606 0.86 ALDH1A1 (0.54) ALDH1A1PTGER1KDM4EMAPTGALR3
SCHEMBL15284106 0.80 PTGER1 (0.40) ALDH1A1PTGER1KDM4EMAPTGALR3
SCHEMBL2993560 0.79 PDE4D (0.43) ALDH1A1PTGER1KDM4EMAPTGAA
SCHEMBL17685042 0.75 MAPT (0.42) ALDH1A1PTGER1KDM4EMAPTGALR3
SCHEMBL3000767 0.74 TP53 (0.53) PTGER1MAPTLDHALMNA
SCHEMBL13890366 0.67 ALDH1A1 (0.46) ALDH1A1PTGER1KDM4EMAPTGALR3
SCHEMBL2989797 0.66 PTGER1 (0.40) ALDH1A1PTGER1KDM4EMAPTGAA
SCHEMBL9782130 0.66 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL17354737 0.65 NPC1 (0.46) ALDH1A1PTGER1KDM4EMAPTGAA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970118-B1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS MANFREDI JOHN (US) 2018-09-12 EP claimed
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP claimed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US claimed
EP-2813498-A1 Compounds for Alzheimer's disease Manfredi, John (US) 2014-12-17 EP claimed
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US claimed
EP-2970118-B1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS MANFREDI JOHN (US) 2018-09-12 EP disclosed
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP disclosed
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 WO 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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN ALDH1A1 2169/4885PTGER1 4321/4885KDM4E 3751/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC ALDH1A1 1938/4885PTGER1 4863/4885KDM4E 4625/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO ALDH1A1 2795/4885PTGER1 4595/4885KDM4E 2603/4885

“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.