SCHEMBL468661

SCHEMBL468661

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
MAPT P10636 1/20 0.58
CYP2C19 P33261 1/20 0.58
DHODH Q02127 13/20 0.57
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
DGAT1 O75907 2/20 0.52
RAB9A P51151 1/20 0.48

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
SCHEMBL2406363 0.86 MAPT (0.53) CYP1A2MAPTCYP2C19DHODHMEN1
SCHEMBL468629 0.84 DHODH (0.80) DHODH
SCHEMBL21379546 0.76 MAPT (0.70) CYP1A2MAPTCYP2C19MEN1GAA
SCHEMBL29552260 0.75 MAPT (0.52) CYP1A2MAPTCYP2C19DGAT1RAB9A
SCHEMBL2403929 0.75 DHODH (0.67) DHODH
SCHEMBL2406388 0.75 DHODH (0.64) DHODH
SCHEMBL28860458 0.74 EGFR (0.54) CYP1A2MAPTCYP2C19DGAT1
SCHEMBL25666147 0.74 KCNH2 (0.52) MAPTDHODHMEN1GAAKMT2A
SCHEMBL24901393 0.73 ADK (0.50) CYP1A2MAPTCYP2C19DGAT1
SCHEMBL468594 0.72 DHODH (1.00) 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 37 patents — showing the first 20. 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 claimed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
WO-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
EP-2444088-A1 Amino derivatives for the treatment of proliferative skin disorders Almirall, S.A. (ES) 2012-04-25 EP claimed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 EP claimed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP claimed
EP-2389197-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall S.A. (ES) 2011-11-30 EP claimed
US-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-11-17 US claimed
US-20110253957-A1 Compliant motion distribution system FLEXSYS, INC. 2011-10-20 US claimed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US claimed
WO-2010083975-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-07-29 WO claimed
EP-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP claimed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP claimed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP claimed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO claimed
EP-2389197-B1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL SA (ES) 2014-06-18 EP disclosed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US 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
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 (3 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-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, CBR3, HRH4 CYP1A2 875/4885MAPT 4772/4885CYP2C19 1466/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD CYP1A2 362/4885MAPT 3751/4885CYP2C19 606/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD CYP1A2 362/4885MAPT 3751/4885CYP2C19 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.