SCHEMBL545307

SCHEMBL545307

COc1ccc2c(c1)C=C(C#N)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
SHMT2 P34897 1/20 0.49
ALOX5 P09917 2/20 0.47
MAOB P27338 4/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL430257 0.88 ALOX5 (0.51) MTNR1ASHMT2ALOX5MAOBMAPT
SCHEMBL29260626 0.84 ALOX5 (0.39) MTNR1ASHMT2ALOX5MAPTMEN1
SCHEMBL1211173 0.81 PTGS1 (0.42) MTNR1ASHMT2ALOX5MAOBMAPT
SCHEMBL20839498 0.80 MMP12 (0.38) SHMT2MAPTMEN1KMT2AGAA
SCHEMBL5226489 0.79 PTGS1 (0.41) MTNR1ASHMT2ALOX5MAPTMEN1
SCHEMBL1284500 0.78 MEN1 (0.47) MAOBMAPTMEN1KMT2AGAA
SCHEMBL266611 0.78 MTNR1A (0.53) MTNR1ASHMT2ALOX5MAOBMAPT
SCHEMBL414773 0.76 ALOX5 (0.44) ALOX5MAOBMAPTMEN1KMT2A
SCHEMBL9692516 0.76 TLR2 (0.35) ALOX5MAPTMEN1KMT2AGAA
SCHEMBL4430663 0.74 TYR (0.54) SHMT2ALOX5MAOBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240583-A A kind of benzopyrans compounds, and preparation method thereof and pharmaceutical composition and purposes 中国医学科学院药物研究所 2019-09-17 CN disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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 (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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885SHMT2 449/4885ALOX5 567/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 MTNR1A 4246/4885SHMT2 2943/4885ALOX5 3821/4885

“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.