SCHEMBL1676473

SCHEMBL1676473

CCn1cc(-c2ccc(F)cc2F)nc1/C=C/c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 11/20 0.35
ESR2 Q92731 4/20 0.35
F2RL3 Q96RI0 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
TLR8 Q9NR97 1/20 0.33
KCNA3 P22001 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL1676475 1.00 MEN1 (0.36) MEN1GFERKMT2AESR1ESR2
SCHEMBL1676437 0.88 NFE2L2 (0.44) F2RL3
SCHEMBL1676435 0.88 NFE2L2 (0.44) F2RL3
SCHEMBL1676217 0.86 F2RL3 (0.36) F2RL3TP53MDM2TLR8
SCHEMBL1676213 0.86 F2RL3 (0.36) F2RL3TP53MDM2TLR8
SCHEMBL1480696 0.82 ENPP2 (0.40) ESR1ESR2
SCHEMBL1480692 0.82 ENPP2 (0.40) ESR1ESR2
SCHEMBL1480642 0.81 MEN1 (0.45) MEN1GFERKMT2AESR1KCNA3
SCHEMBL1480644 0.81 MEN1 (0.45) MEN1GFERKMT2AESR1KCNA3
SCHEMBL1481745 0.79 MEN1 (0.44) MEN1GFERKMT2ATP53TLR8

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 MEN1 2851/4885GFER 1067/4885KMT2A 2145/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MEN1 2851/4885GFER 1067/4885KMT2A 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.