SCHEMBL1480229

SCHEMBL1480229

O=C(O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.39
CHEK2 O96017 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
TGM2 P21980 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
SCHEMBL1480227 1.00 KDM4E (0.40) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1481593 0.93 KDM4E (0.41) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1481596 0.93 KDM4E (0.41) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1480513 0.92 DRD2 (0.42) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1480510 0.92 DRD2 (0.42) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6520652 0.89 NPC1 (0.42) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL6520655 0.89 NPC1 (0.42) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676804 0.85 MAPT (0.42) NPC1CRHBPRAB9ACRHR2SMN1; SMN2
SCHEMBL1676802 0.85 MAPT (0.42) NPC1CRHBPRAB9ACRHR2SMN1; SMN2
SCHEMBL1676757 0.85 TGM2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 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

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 KDM4E 672/4885NPC1 3792/4885CRHBP 4772/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KDM4E 733/4885NPC1 3228/4885CRHBP 4719/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KDM4E 733/4885NPC1 3228/4885CRHBP 4719/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ KDM4E 672/4885NPC1 3792/4885CRHBP 4772/4885

“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.