SCHEMBL1480157

SCHEMBL1480157

Clc1ccc(-c2c[nH]c(C=Cc3ccc(Br)cc3)n2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
LMNA P02545 3/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ALPL P05186 2/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34

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
SCHEMBL1480155 1.00 DHODH (0.39) DHODHHSP90AA1HSP90AB1LMNANPC1
SCHEMBL1480794 0.92 MAPT (0.40) HSP90AA1HSP90AB1LMNANPC1RAB9A
SCHEMBL1480791 0.92 MAPT (0.40) HSP90AA1HSP90AB1LMNANPC1RAB9A
Imidazole SCHEMBL6469387 0.89 DHODH (0.33) DHODHHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL6533921 0.87 ITGB2 (0.42) DHODHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6533923 0.87 ITGB2 (0.42) DHODHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1480478 0.87 NPC1 (0.39) HSP90AA1HSP90AB1LMNANPC1RAB9A
SCHEMBL1480482 0.87 NPC1 (0.39) HSP90AA1HSP90AB1LMNANPC1RAB9A
SCHEMBL1482813 0.87 MEN1 (0.46) HSP90AA1HSP90AB1LMNANPC1RAB9A
SCHEMBL1482814 0.87 MEN1 (0.46) HSP90AA1HSP90AB1LMNANPC1RAB9A

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 DHODH 568/4885HSP90AA1 2523/4885HSP90AB1 2056/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE DHODH 902/4885HSP90AA1 3076/4885HSP90AB1 2732/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DHODH 902/4885HSP90AA1 3076/4885HSP90AB1 2732/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DHODH 568/4885HSP90AA1 2523/4885HSP90AB1 2056/4885

“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.