SCHEMBL468509

SCHEMBL468509

Cc1ccc(Nc2cnc3ccccc3c2)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.65
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MITF O75030 1/20 0.55
XBP1 P17861 1/20 0.55
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
KDR P35968 1/20 0.53

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
SCHEMBL2821932 0.88 DHODH (0.53) DHODHNPC1RAB9APOLBMAPT
SCHEMBL2402968 0.85 BRAF (0.53) DHODHNPC1RAB9APOLBMAPT
SCHEMBL19626177 0.79 AKR1C3 (0.67) DHODHMAPT
SCHEMBL18796169 0.79 NPC1 (0.51) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL468722 0.79 DHODH (1.00) DHODH
SCHEMBL468404 0.78 DHODH (1.00) DHODH
SCHEMBL4218152 0.78 KDR (0.50) DHODHNPC1RAB9APOLBMAPT
SCHEMBL2821937 0.78 NPC1 (0.43) DHODHNPC1RAB9APOLBMAPT
SCHEMBL468565 0.77 DHODH (0.79) DHODH
SCHEMBL29101218 0.77 MAPT (0.58) NPC1RAB9APOLBMAPTSMN1; SMN2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389197-B1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL SA (ES) 2014-06-18 EP claimed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US 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-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP 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
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO 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
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 DHODH 1/4885NPC1 2240/4885RAB9A 2042/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885NPC1 1549/4885RAB9A 1688/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885NPC1 1549/4885RAB9A 1688/4885

“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.