SCHEMBL2404670

SCHEMBL2404670

COc1cccc(-c2ncc([N+](=O)[O-])cc2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.49
ADORA1 P30542 1/20 0.49
NPC1 O15118 2/20 0.47
CASP3 P42574 2/20 0.47
RAB9A P51151 2/20 0.47
SENP7 Q9BQF6 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 5/20 0.46
MAOB P27338 1/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
BRAF P15056 1/20 0.42
MAPK14 Q16539 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
SCHEMBL2404182 0.85 NPC1 (0.51) ADORA2AADORA1NPC1CASP3RAB9A
SCHEMBL2404650 0.84 ALDH1A1 (0.50) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL2404626 0.84 NPC1 (0.47) ADORA2AADORA1NPC1CASP3RAB9A
SCHEMBL2404284 0.81 ALDH1A1 (0.49) NPC1RAB9AMAPTGAAMEN1
SCHEMBL27808856 0.81 MAPT (0.49) MAPTGAALMNASMN1; SMN2ABCG2
SCHEMBL2407456 0.78 ADORA2A (0.58) ADORA2AADORA1MEN1KMT2ABRAF
SCHEMBL1337055 0.76 MAPT (0.55) ADORA2ANPC1CASP3RAB9ASENP7
SCHEMBL29739398 0.76 MAPT (0.51) MAPTLMNAMEN1KMT2A
SCHEMBL14908747 0.74 ALDH1A1 (0.49) NPC1RAB9AMAPTGAALMNA
SCHEMBL2711039 0.73 NPC1 (0.48) ADORA2ANPC1CASP3RAB9ASENP7

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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD ADORA2A 2743/4885ADORA1 2919/4885NPC1 1549/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD ADORA2A 2743/4885ADORA1 2919/4885NPC1 1549/4885

“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.