SCHEMBL5028544

SCHEMBL5028544

Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
TRPV1 Q8NER1 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL5028542 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL14362896 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL5030695 0.86 EGFR (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5030705 0.86 EGFR (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL8227769 0.86 EGFR (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5034914 0.86 MEN1 (0.50) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL5034909 0.86 MEN1 (0.50) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL5030740 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL5030743 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL5034904 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 MEN1 4237/4885KMT2A 2650/4885ALDH1A1 865/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 MEN1 4237/4885KMT2A 2650/4885ALDH1A1 865/4885

“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.