SCHEMBL5798428

SCHEMBL5798428

O=c1[nH][nH]c(=O)n1Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.56
CMA1 P23946 1/20 0.50
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
BRDT Q58F21 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2308530 0.78 LMNA (0.55) DAOCMA1HTTMAPTKDM4E
SCHEMBL8469096 0.74 DAO (0.54) DAOCMA1HTTMAPTKDM4E
SCHEMBL3258886 0.73 POLB (0.64) DAOHTTMAPTALDH1A1TSHR
SCHEMBL718459 0.73 PTGS1 (0.58) DAOCMA1HTTMAPTCA12
SCHEMBL18965894 0.72 ALDH1A1 (0.51) CMA1HTTMAPTKDM4EALDH1A1
SCHEMBL1861739 0.72 CMA1 (0.65) CMA1HTTMAPTKDM4EALDH1A1
SCHEMBL28554314 0.71 DAO (0.49) DAOHTTMAPTCA12POLB
SCHEMBL1337353 0.71 CA12 (0.57) DAOHTTMAPTKDM4ECA12
SCHEMBL31267076 0.71 DAO (0.49) DAOCMA1HTTMAPTCA12
SCHEMBL11865299 0.71 HDAC1 (0.59) DAOHTTMAPTCA12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053214-B2 β-sheet mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2006-05-30 US disclosed
EP-1651653-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2006-05-03 EP disclosed
US-20060084653-A1 Beta-sheet mimetics and composition and methods relating thereto MYRIAD GENETICS, INCORPORATED (US) 2006-04-20 US disclosed
EP-1482941-A4 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS INC (US) 2006-04-12 EP disclosed
WO-2005012312-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 WO disclosed
EP-1482941-A1 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO Myriad Pharmaceuticals, Inc. (US) 2004-12-08 EP disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 US disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 US disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 US disclosed
WO-2003068237-A1 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS, INC. (US) 2003-08-21 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 (2 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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 DAO 134/4885CMA1 5/4885HTT 1307/4885
US-20060084653-A1 Beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 DAO 174/4885CMA1 4/4885HTT 1718/4885

“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.