SCHEMBL2406363

SCHEMBL2406363

Cc1ccc(Nc2ccc(N3CCOCC3)nc2)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
DGAT1 O75907 2/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
STAT3 P40763 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MC4R P32245 1/20 0.43
PTK2B Q14289 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL468661 0.86 CYP1A2 (0.58) MAPTCYP1A2CYP2C19MEN1GAA
SCHEMBL13700158 0.78 DHODH (0.47) DHODH
SCHEMBL29301634 0.76 MAPT (0.61) MAPTCYP1A2CYP2C19DGAT1SMN1; SMN2
SCHEMBL2404640 0.73 DHODH (0.54) DHODH
SCHEMBL12319903 0.73 DHODH (0.49) DHODH
SCHEMBL2407340 0.73 DHODH (0.74) DHODH
SCHEMBL2405055 0.72 DHODH (0.46) DHODH
SCHEMBL2403928 0.72 DHODH (0.74) DHODH
SCHEMBL12320164 0.72 DHODH (0.52) DHODH
SCHEMBL2404597 0.72 DHODH (0.46) 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 MAPT 3751/4885CYP1A2 362/4885CYP2C19 606/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD MAPT 3751/4885CYP1A2 362/4885CYP2C19 606/4885

“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.