SCHEMBL1676137

SCHEMBL1676137

O=C(O)c1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
TRPM2 O94759 1/20 0.39
DPP4 P27487 1/20 0.39
SRD5A2 P31213 1/20 0.38
CFTR P13569 1/20 0.38
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
S1PR5 Q9H228 1/20 0.36
RXRG P48443 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
SCHEMBL1676140 1.00 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL1481124 0.88 MEN1 (0.42) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL1481125 0.88 MEN1 (0.42) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL1676067 0.85 NR1H2 (0.44) KDM4ENPC1RAB9ACRHBPCRHR2
SCHEMBL1676065 0.85 NR1H2 (0.44) KDM4ENPC1RAB9ACRHBPCRHR2
SCHEMBL1676788 0.84 HSD17B1 (0.36) KDM4ENPC1RAB9ACRHBPCRHR2
SCHEMBL1676792 0.84 HSD17B1 (0.36) KDM4ENPC1RAB9ACRHBPCRHR2
SCHEMBL1676258 0.83 SMN1; SMN2 (0.38) KDM4ENPC1RAB9ACRHBPCRHR2
SCHEMBL1676260 0.83 SMN1; SMN2 (0.38) KDM4ENPC1RAB9ACRHBPCRHR2
SCHEMBL1676611 0.83 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1NPC1

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 7 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 claimed
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
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 KDM4E 733/4885MEN1 2851/4885KMT2A 2145/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KDM4E 733/4885MEN1 2851/4885KMT2A 2145/4885

“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.