SCHEMBL2402996

SCHEMBL2402996

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
ERN1 O75460 3/20 0.47
ALDH1A1 P00352 3/20 0.44
MTOR P42345 2/20 0.44
PIK3CA P42336 1/20 0.44
ATR Q13535 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAP4K1 Q92918 1/20 0.42
FYN P06241 3/20 0.41
POLQ O75417 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL2404191 0.85 TSHR (0.54) DHODHERN1ALDH1A1CYP3A4HTT
SCHEMBL2403932 0.80 DHODH (0.56) DHODHERN1MTORPIK3CAATR
SCHEMBL2404162 0.78 ALDH1A1 (0.53) DHODHALDH1A1CYP3A4L3MBTL1HTT
SCHEMBL12498251 0.77 ERN1 (0.57) ERN1ALDH1A1L3MBTL1HTTMAPT
SCHEMBL2404182 0.75 NPC1 (0.51) DHODHALDH1A1MAPTRAB9AKMT2A
SCHEMBL27808862 0.75 ALDH1A1 (0.52) ALDH1A1HTTMAPTRAB9AKMT2A
SCHEMBL2404656 0.75 DHODH (0.53) DHODHALDH1A1HTTMAPTRAB9A
SCHEMBL3347418 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1HTTMAPTRAB9A
SCHEMBL30568852 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1HTTMAPTRAB9A
SCHEMBL2402918 0.71 DHODH (0.48) DHODHALDH1A1POLQHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801931-B Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL SA 2014-05-14 CN disclosed
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
CN-101801931-A Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL LAB 2010-08-11 CN 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 1/4885ERN1 4063/4885ALDH1A1 82/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885ERN1 4063/4885ALDH1A1 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.