SCHEMBL3550482

SCHEMBL3550482

Cc1c(C=O)ccn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
COMT P21964 1/20 0.51
ATM Q13315 1/20 0.48
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
FGFR1 P11362 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL18951241 0.75 NOTUM (0.44) NOTUMCOMTATMALDH1A1DDB1
SCHEMBL8506114 0.75 ATM (0.43) NOTUMCOMTATMALDH1A1TSHR
SCHEMBL20370449 0.74 NOTUM (0.42) NOTUMCOMTATMALDH1A1DDB1
SCHEMBL1107780 0.73 NOTUM (0.57) NOTUMCOMTATMALDH1A1DDB1
SCHEMBL13889904 0.71 NOTUM (0.55) NOTUMCOMTATMALDH1A1DDB1
SCHEMBL16976533 0.69 COMT (0.61) NOTUMCOMTALDH1A1DDB1CRBN
SCHEMBL3260482 0.69 NOTUM (1.00) NOTUMCOMTALDH1A1MEN1KMT2A
SCHEMBL16256868 0.69 ATM (0.58) ATMALDH1A1TSHRDDB1CRBN
SCHEMBL1156250 0.69 KDM4E (0.50) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL31668293 0.69 ALDH1A1 (0.51) ATMALDH1A1DDB1CRBNBLM

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-7851644-B2 Heterocyclic metallocenes and polymerization catalysts BASELL POLYOLEFINE GMBH (DE) 2010-12-14 US disclosed
US-20090286945-A9 Heterocyclic metallocenes and polymerization catalysts EWEN JOHN A 2009-11-19 US disclosed
US-20080090978-A1 Heterocyclic metallocenes and polymerization catalysts EWEN JOHN A 2008-04-17 US disclosed
US-7238818-B2 Heterocyclic metallocenes and polymerization catalysts BASELL POLYOLEFINE GMBH (DE) 2007-07-03 US disclosed
EP-1327636-B1 Heterocyclic metallocenes and polymerisation catalysts BASELL POLYOLEFINE GMBH (DE) 2006-01-11 EP disclosed
US-20050192418-A1 Heterocyclic metallocenes and polymerization catalysts EQUISTAR CHEMICALS, LP 2005-09-01 US disclosed
EP-1327636-A2 Heterocyclic metallocenes and polymerisation catalysts Basell Polyolefine GmbH (DE) 2003-07-16 EP disclosed
EP-0938491-B1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2003-05-07 EP disclosed
EP-0938491-A1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS Montell Technology Company B.V. (NL) 1999-09-01 EP disclosed
WO-1998022486-A1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-05-28 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-20090286945-A9 Heterocyclic metallocenes and polymerization catalysts GAK, ZYX, POLK NOTUM 2157/4885COMT 2470/4885ATM 2305/4885
US-20050192418-A1 Heterocyclic metallocenes and polymerization catalysts GAK, INTS9, ZYX NOTUM 2379/4885COMT 2846/4885ATM 1496/4885
US-20080090978-A1 Heterocyclic metallocenes and polymerization catalysts GAK, ZYX, POLK NOTUM 2157/4885COMT 2470/4885ATM 2305/4885

“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.