SCHEMBL10273084

SCHEMBL10273084

N#Cc1cc(N=O)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
XDH P47989 1/20 0.32
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13482623 0.84 GRM4 (0.34) GRM4TTRALBMAOAMAOB
SCHEMBL92582 0.81 MAOB (0.45) MAOAMAOBALDH1A1
SCHEMBL2619431 0.76 VCAM1 (0.49) GRM4MAPK1BLMTDP1
SCHEMBL13751493 0.76 TSHR (0.43) MAOAMAOBMEN1GMNNALDH1A1
SCHEMBL13361444 0.76 MAOA (0.40) MAOAMAOBMEN1GMNNALDH1A1
SCHEMBL13890151 0.76 GRM4 (0.40) GRM4BLM
SCHEMBL12990637 0.76 CYP1A2 (0.36) MAOAMAOBXDHMEN1GMNN
SCHEMBL13361285 0.76 MAPT (0.33) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21159847 0.73 MAOB (0.34) MAOAMAOBMEN1GMNNALDH1A1
SCHEMBL13482633 0.72 MAOB (0.41) MAOAMAOBXDHMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 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 (4 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC GRM4 3506/4885TTR 2762/4885ALB 4310/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD GRM4 1066/4885TTR 2560/4885ALB 4225/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD GRM4 444/4885TTR 1771/4885ALB 2198/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC GRM4 3506/4885TTR 2762/4885ALB 4310/4885

“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.