SCHEMBL2404656

SCHEMBL2404656

Cc1cc([N+](=O)[O-])cnc1-c1cccc(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.53
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ALOX5 P09917 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4D Q08499 3/20 0.38
PDE4A P27815 1/20 0.38
MAPT P10636 2/20 0.38

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 0.86 NPC1 (0.51) DHODHALDH1A1GAANPC1RAB9A
SCHEMBL2402918 0.82 DHODH (0.48) DHODHHTTALDH1A1GAACASP3
SCHEMBL27808862 0.81 ALDH1A1 (0.52) HTTALDH1A1GAARXRARXRB
SCHEMBL2404162 0.79 ALDH1A1 (0.53) DHODHHTTALDH1A1GAAGABRA5
SCHEMBL2409415 0.78 DHODH (0.53) DHODHRXRARXRBGABRA1GABRG2
SCHEMBL2406145 0.78 DHODH (0.53) DHODHRXRARXRBGABRA1GABRG2
SCHEMBL30469287 0.77 RXRA (0.54) ALDH1A1RXRARXRBGABRA1GABRG2
SCHEMBL20557361 0.77 RXRA (0.54) ALDH1A1RXRARXRBGABRA1GABRG2
SCHEMBL2404191 0.77 TSHR (0.54) DHODHHTTALDH1A1GAALMNA
SCHEMBL2402996 0.75 DHODH (0.55) DHODHHTTALDH1A1RAB9AMAPT

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 DHODH 1/4885HTT 2465/4885ALDH1A1 82/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885HTT 2465/4885ALDH1A1 82/4885

“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.