SCHEMBL3246033

SCHEMBL3246033

[NH]C(=O)C1C=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
EDNRA P25101 1/20 0.31
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
RET P07949 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL9309445 0.83 HTR2A (0.38) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL31068436 0.83 HTR6 (0.41) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL31147849 0.82 HTR6 (0.40) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL29401941 0.82 EDNRA (0.39) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL63928 0.82 EDNRA (0.39) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL3609519 0.82 HTR2A (0.36) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL8378960 0.80 POLB (0.37) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL629577 0.80 POLB (0.36) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL8559334 0.80 HTR2A (0.35) HTR2AHTR6CYP2D6ATMMEN1
SCHEMBL3246036 0.80 ATM (0.40) HTR2AHTR6CYP2D6ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10072398-A None JP disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
US-7214749-B2 Catalyst system for high activity and stereoselectivity in the homopolymerization and copolymerization of olefins THE TEXAS A&M UNIVERSITY SYSTEMS (US) 2007-05-08 US disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO disclosed
US-20060025299-A1 Novel catalyst system for high activity and stereoselectivity in the homopolymerization and copolymerization of olefins TEXAS A&M UNIVERSITY SYSTEM (US) 2006-02-02 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
JP-H1072398-A PRODUCTION OF 1-INDANONE ICHIKAWA GOSEI KAGAKU KK 1998-03-17 JP 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HTR2A 3226/4885HTR6 2606/4885CYP2D6 1644/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HTR2A 1158/4885HTR6 1874/4885CYP2D6 2600/4885

“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.