SCHEMBL1676532

SCHEMBL1676532

FC(F)(F)c1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
EGFR P00533 1/20 0.39
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PTGES O14684 1/20 0.36
PTGS1 P23219 1/20 0.36
ERBB2 P04626 1/20 0.35
TRPM2 O94759 1/20 0.35
XDH P47989 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL1676530 1.00 DPP4 (0.43) DPP4EGFRIDO1MAPTMAPK1
SCHEMBL1677182 0.90 RORC (0.42) IDO1PTGESPTGS1ERBB2TRPM2
SCHEMBL1677183 0.90 RORC (0.42) IDO1PTGESPTGS1ERBB2TRPM2
SCHEMBL1676436 0.89 VCP (0.41) IDO1MAPTPTGESERBB2TRPM2
SCHEMBL1676433 0.89 VCP (0.41) IDO1MAPTPTGESERBB2TRPM2
SCHEMBL1480764 0.86 PTGES (0.44) DPP4MAPTMAPK1PTGESKDM4E
SCHEMBL1480766 0.86 PTGES (0.44) DPP4MAPTMAPK1PTGESKDM4E
SCHEMBL1676272 0.85 PTGES (0.40) IDO1MAPTPTGESPTGS1TRPM2
SCHEMBL1676276 0.85 PTGES (0.40) IDO1MAPTPTGESPTGS1TRPM2
SCHEMBL1481234 0.85 PTGES (0.38) PTGESPTGS1XDHTRPV1

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE DPP4 115/4885EGFR 2135/4885IDO1 500/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DPP4 115/4885EGFR 2135/4885IDO1 500/4885

“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.