SCHEMBL1481897

SCHEMBL1481897

COc1ccc(Br)cc1C=Cc1nc(-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DHODH Q02127 1/20 0.39
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
AGPAT2 O15120 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
TNFRSF1A P19438 1/20 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
SCHEMBL1481896 1.00 AMY1A (0.43) AMY1AMEN1KMT2ADHODHGAA
Imidazole SCHEMBL6452046 0.91 AMY1A (0.37) AMY1AMEN1KMT2ADHODHGAA
SCHEMBL1480665 0.86 HPGD (0.48) AMY1AMEN1KMT2AGAANPC1
SCHEMBL1480661 0.86 HPGD (0.48) AMY1AMEN1KMT2AGAANPC1
SCHEMBL12828682 0.85 DPP4 (0.38) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1481809 0.84 DHODH (0.41) AMY1AMEN1KMT2ADHODHGAA
SCHEMBL1481811 0.84 DHODH (0.41) AMY1AMEN1KMT2ADHODHGAA
SCHEMBL1481504 0.84 AMY1A (0.45) AMY1AMEN1KMT2AGAANPC1
SCHEMBL1481501 0.84 AMY1A (0.45) AMY1AMEN1KMT2AGAANPC1
SCHEMBL1480762 0.83 MEN1 (0.37) AMY1AMEN1KMT2AGAANPC1

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 9 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
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO 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
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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 AMY1A 1384/4885MEN1 3467/4885KMT2A 1996/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE AMY1A 613/4885MEN1 2851/4885KMT2A 2145/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE AMY1A 613/4885MEN1 2851/4885KMT2A 2145/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ AMY1A 1384/4885MEN1 3467/4885KMT2A 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.