SCHEMBL1676360

SCHEMBL1676360

O=C(O)c1ccc(Cn2cc(-c3ccc(F)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR5 Q9H228 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ENPP2 Q13822 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPM2 O94759 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
THRB P10828 1/20 0.36
ICMT O60725 1/20 0.36
CFTR P13569 1/20 0.36
NLRP3 Q96P20 1/20 0.36
S1PR1 P21453 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
SCHEMBL1676363 1.00 MEN1 (0.41) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1481427 0.93 MEN1 (0.42) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1481430 0.93 MEN1 (0.42) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1481124 0.93 MEN1 (0.42) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1481125 0.93 MEN1 (0.42) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1676364 0.91 S1PR5 (0.45) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1676366 0.91 S1PR5 (0.45) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1676146 0.88 MEN1 (0.44) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1676148 0.88 MEN1 (0.44) MEN1KMT2AS1PR5KDM4EALDH1A1
SCHEMBL1676099 0.87 MEN1 (0.46) MEN1KMT2AS1PR5KDM4EALDH1A1

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
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
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 MEN1 2851/4885KMT2A 2145/4885S1PR5 3261/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MEN1 2851/4885KMT2A 2145/4885S1PR5 3261/4885

“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.