SCHEMBL1482813

SCHEMBL1482813

Oc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3Cl)c[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
AR P10275 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
ALPL P05186 2/20 0.36
LMNA P02545 4/20 0.35
APP P05067 3/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL1482814 1.00 MEN1 (0.46) MEN1MAPTKMT2ASMN1; SMN2AR
SCHEMBL1481885 0.96 SMN1; SMN2 (0.49) MEN1MAPTKMT2ASMN1; SMN2AR
SCHEMBL1481883 0.96 SMN1; SMN2 (0.49) MEN1MAPTKMT2ASMN1; SMN2AR
SCHEMBL1480794 0.92 MAPT (0.40) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL1480791 0.92 MAPT (0.40) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL1480478 0.87 NPC1 (0.39) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL1480157 0.87 DHODH (0.39) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL1480155 0.87 DHODH (0.39) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL1480482 0.87 NPC1 (0.39) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL1481354 0.87 TUBB4A (0.46) MEN1MAPTKMT2ASMN1; SMN2HSP90AA1

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 disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 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
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MEN1 3467/4885MAPT 3558/4885KMT2A 1996/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MEN1 2851/4885MAPT 3251/4885KMT2A 2145/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MEN1 2851/4885MAPT 3251/4885KMT2A 2145/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MEN1 3467/4885MAPT 3558/4885KMT2A 1996/4885

“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.