SCHEMBL4215072

SCHEMBL4215072

CCn1cc(Br)c(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GFER P55789 1/20 0.44
ATM Q13315 1/20 0.44
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL4309279 0.84 APOBEC3G (0.45) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL27086278 0.81 ALDH1A1 (0.54) CFTRMEN1KMT2AALDH1A1POLB
SCHEMBL12491354 0.78 MAPK1 (0.48) CFTRMEN1KMT2AALDH1A1POLB
SCHEMBL27085913 0.78 PDE4B (0.57) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL4213603 0.78 CFTR (0.43) CFTRMEN1KMT2AALDH1A1POLB
SCHEMBL4215711 0.77 BRAF (0.67) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL4222457 0.77 TSHR (0.43) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL29193020 0.76 ALDH1A1 (0.45) CFTRMEN1KMT2AALDH1A1POLB
SCHEMBL27086050 0.76 ALDH1A1 (0.42) CFTRMEN1KMT2AALDH1A1POLB
SCHEMBL27088356 0.74 KEAP1 (0.62) MEN1KMT2AALDH1A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US claimed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US claimed
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
WO-2008067119-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-05 WO disclosed
WO-2008067119-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-05 WO disclosed
WO-2007090141-A2 PYRROLO [2, 3, B] PYRIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA CFTR 1784/4885MEN1 4862/4885KMT2A 2532/4885
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors BRAF, RAF1, ARAF CFTR 3632/4885MEN1 2187/4885KMT2A 1795/4885

“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.