SCHEMBL3880359

SCHEMBL3880359

COc1ccc(OC)c(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cccnc34)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
MAPK1 P28482 2/20 0.48
MECP2 P51608 1/20 0.48
GAA P10253 2/20 0.46
HPSE Q9Y251 1/20 0.45
RUVBL1 Q9Y265 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RET P07949 1/20 0.43
MAP2 P11137 1/20 0.43

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
SCHEMBL3879910 0.91 MAPT (0.52) MAPTMEN1KMT2ANTRK1NTRK2
SCHEMBL3881315 0.90 SMN1; SMN2 (0.53) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3878912 0.89 SMN1; SMN2 (0.54) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3881293 0.89 HPSE (0.49) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3880957 0.88 BRAF (0.53) HPSE
SCHEMBL3881102 0.87 KDR (0.52) MAPTMEN1KMT2ANTRK1SMN1; SMN2
SCHEMBL3878852 0.87 HPSE (0.47) MAPTSMN1; SMN2TP53MAPK1MECP2
SCHEMBL1877869 0.87 MAPT (0.51) MAPTMEN1KMT2ANTRK1NTRK2
SCHEMBL4075141 0.82 MAP2 (0.51) MAPTMEN1KMT2ANTRK1NTRK2
SCHEMBL3883122 0.81 HPSE (0.50) MAPTSMN1; SMN2HPSENPC1RAB9A

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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US claimed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP claimed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO claimed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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 (1 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 MAPT 3176/4885MEN1 1095/4885KMT2A 1237/4885

“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.