SCHEMBL1676366

SCHEMBL1676366

O=C(O)c1ccc(Cn2cc(-c3ccccc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.45
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
TRPM2 O94759 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ERBB2 P04626 1/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 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
SCHEMBL1676364 1.00 S1PR5 (0.45) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1481125 0.92 MEN1 (0.42) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1481124 0.92 MEN1 (0.42) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676146 0.92 MEN1 (0.44) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676148 0.92 MEN1 (0.44) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676360 0.91 MEN1 (0.41) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676363 0.91 MEN1 (0.41) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676094 0.89 MEN1 (0.46) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676099 0.89 MEN1 (0.46) S1PR5PTGESALOX5KDM4EMEN1
SCHEMBL1676036 0.89 MEN1 (0.45) S1PR5PTGESALOX5KDM4EMEN1

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 S1PR5 3261/4885PTGES 1938/4885ALOX5 1066/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885PTGES 1938/4885ALOX5 1066/4885

“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.