SCHEMBL2406359

SCHEMBL2406359

CCOC(=O)c1cc(C)cc(CC)c1Nc1cnc(-c2cccc(C(N)=O)c2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.59
JAK2 O60674 5/20 0.42
JAK3 P52333 5/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TTK P33981 1/20 0.39
MAPK8 P45983 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CREBBP Q92793 1/20 0.39
THRB P10828 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
SCHEMBL15789870 0.90 DHODH (0.70) DHODH
SCHEMBL468541 0.85 DHODH (0.78) DHODHJAK2JAK3
SCHEMBL3664567 0.82 DHODH (0.84) DHODH
SCHEMBL15789871 0.79 DHODH (0.71) DHODH
SCHEMBL15789818 0.78 DHODH (0.65) DHODH
SCHEMBL15789954 0.76 DHODH (0.71) DHODHTP53MAPT
SCHEMBL468503 0.75 DHODH (0.78) DHODHJAK2JAK3
SCHEMBL468446 0.74 DHODH (1.00) DHODH
SCHEMBL3667236 0.72 DHODH (0.85) DHODH
SCHEMBL468664 0.72 DHODH (0.76) DHODH

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 1/4885JAK2 3658/4885JAK3 4257/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885JAK2 3658/4885JAK3 4257/4885

“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.