SCHEMBL3877600

SCHEMBL3877600

NC(=O)c1[nH]c2ccccc2c1-c1ccc(N(C(N)=O)c2ccccc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 15/20 0.59
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDR P35968 1/20 0.39
PTGS2 P35354 1/20 0.36

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
SCHEMBL3883064 0.80 MAP2 (0.59) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL3878833 0.78 MAP2 (0.48) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL3881671 0.78 MAP2 (0.53) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL3878231 0.75 MAP2 (0.79) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL28149385 0.72 NPSR1 (0.52) KDM4EALDH1A1KDR
SCHEMBL3877605 0.72 MAP2 (0.57) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL3883640 0.71 MAP2 (0.63) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL3880397 0.70 MAP2 (0.59) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL6037488 0.70 KDR (0.46) KDM4EKDR
SCHEMBL3880122 0.70 KDR (0.58) MAP2KDM4EALDH1A1GAAKDR

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 1170/4885KDM4E 1882/4885ALDH1A1 304/4885

“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.