SCHEMBL2404191

SCHEMBL2404191

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
DHODH Q02127 2/20 0.53
MAP2K4 P45985 2/20 0.44
ERN1 O75460 1/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP1 P09874 1/20 0.41
CCNT1 O60563 1/20 0.41
CCND1 P24385 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK6 Q00534 1/20 0.41
PIM1 P11309 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TTK P33981 2/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL2402996 0.85 DHODH (0.55) DHODHERN1CYP3A4ALDH1A1HTT
SCHEMBL2405991 0.80 DHODH (0.56) DHODHMAP2K4PARP1CCNT1CCND1
SCHEMBL2404162 0.80 ALDH1A1 (0.53) TSHRDHODHCYP3A4ALDH1A1GAA
SCHEMBL2404182 0.77 NPC1 (0.51) DHODHSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL1347707 0.77 DHODH (0.53) DHODHMAP2K4ERN1PARP1CCNT1
SCHEMBL27808862 0.77 ALDH1A1 (0.52) TSHRSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL2404656 0.77 DHODH (0.53) DHODHSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL28245589 0.75 TSHR (0.81) TSHRERN1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL31176253 0.74 MAP2K4 (0.54) DHODHMAP2K4PARP1CCNT1CCND1
SCHEMBL1348978 0.74 DHODH (0.50) DHODHMAP2K4ERN1PARP1CCNT1

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 TSHR 4652/4885DHODH 1/4885MAP2K4 4395/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD TSHR 4652/4885DHODH 1/4885MAP2K4 4395/4885

“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.