SCHEMBL3881671

SCHEMBL3881671

NC(=O)c1[nH]c2ccccc2c1-c1ccc(N(C(N)=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 12/20 0.53
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.39
GPR35 Q9HC97 1/20 0.39
PARP1 P09874 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
SCHEMBL3878833 0.80 MAP2 (0.48) MAP2PDGFRBKDRKDM4EALDH1A1
SCHEMBL3883064 0.80 MAP2 (0.59) MAP2KDM4EALDH1A1HPGDCA1
SCHEMBL3881677 0.78 KDR (0.74) MAP2PDGFRBKDRMAPT
SCHEMBL3877600 0.78 MAP2 (0.59) MAP2KDRKDM4EALDH1A1HPGD
SCHEMBL28217598 0.77 PTGIR (0.46) MAPT
SCHEMBL5606524 0.76 CES2 (0.50) MAPTKDM4EALDH1A1
SCHEMBL3878005 0.73 KDR (0.60) MAP2PDGFRBKDRMAPTKDM4E
SCHEMBL27657351 0.72 KDR (0.61) KDR
SCHEMBL7609002 0.71 SRD5A2 (0.55) KDM4EALDH1A1
SCHEMBL7739130 0.71 CES2 (0.50) MAPTALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 MAP2 1170/4885PDGFRB 1177/4885KDR 1690/4885

“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.