SCHEMBL3878005

SCHEMBL3878005

NC(=O)c1[nH]c2ccccc2c1-c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.60
PDGFRB P09619 4/20 0.60
MAP2 P11137 3/20 0.59
STING1 Q86WV6 1/20 0.55
MTOR P42345 1/20 0.51
EPHX2 P34913 1/20 0.50
KIF11 P52732 1/20 0.48
GOT1 P17174 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GPR35 Q9HC97 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL3881677 0.91 KDR (0.74) KDRPDGFRBMAP2MAPTMEN1
SCHEMBL3880531 0.89 KDR (0.57) KDRPDGFRBMAP2STING1CA12
SCHEMBL3888349 0.89 MAP2 (0.59) KDRPDGFRBMAP2EPHX2KIF11
SCHEMBL3879170 0.88 MAP2 (0.72) KDRPDGFRBMAP2EPHX2GAA
SCHEMBL3883640 0.87 MAP2 (0.63) KDRPDGFRBMAP2STING1GAA
SCHEMBL3877511 0.86 PDGFRB (0.53) KDRPDGFRBMAP2STING1MEN1
SCHEMBL3877589 0.86 STING1 (0.57) KDRPDGFRBMAP2STING1EPHX2
SCHEMBL3878302 0.86 MAP2 (0.55) KDRPDGFRBMAP2STING1KIF11
SCHEMBL13761322 0.85 KDR (0.54) KDRPDGFRBMAP2
SCHEMBL1876616 0.85 MAP2 (0.60) KDRPDGFRBMAP2MTOREPHX2

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 4 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

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 KDR 1690/4885PDGFRB 1177/4885MAP2 1170/4885

“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.