SCHEMBL1676406

SCHEMBL1676406

FC(F)(F)c1cccc(-c2ccc(/C=C/c3nc(-c4ccccc4)c[nH]3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.44
MAPK1 P28482 1/20 0.42
IDO1 P14902 1/20 0.41
NFE2L2 Q16236 1/20 0.40
XDH P47989 1/20 0.40
CTSS P25774 1/20 0.40
KMO O15229 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
SCN2A Q99250 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR2 P25025 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL1676409 1.00 TRPM2 (0.44) TRPM2MAPK1IDO1NFE2L2XDH
SCHEMBL1676436 0.92 VCP (0.41) TRPM2IDO1NFE2L2XDHCTSS
SCHEMBL1676433 0.92 VCP (0.41) TRPM2IDO1NFE2L2XDHCTSS
SCHEMBL1677182 0.87 RORC (0.42) TRPM2IDO1NFE2L2XDHTRPV1
SCHEMBL1677183 0.87 RORC (0.42) TRPM2IDO1NFE2L2XDHTRPV1
SCHEMBL1482109 0.87 IDO1 (0.42) IDO1NFE2L2XDHCTSSKMO
SCHEMBL1482111 0.87 IDO1 (0.42) IDO1NFE2L2XDHCTSSKMO
SCHEMBL1676272 0.86 PTGES (0.40) TRPM2IDO1NFE2L2XDHCTSS
SCHEMBL1676276 0.86 PTGES (0.40) TRPM2IDO1NFE2L2XDHCTSS
SCHEMBL1676373 0.84 NR3C1 (0.37) TRPM2IDO1NFE2L2XDHCTSS

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 2 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
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 TRPM2 4470/4885MAPK1 647/4885IDO1 500/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE TRPM2 4470/4885MAPK1 647/4885IDO1 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.