SCHEMBL2402968

SCHEMBL2402968

CCOC(=O)c1cc(C)ccc1Nc1cnc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
EIF2AK3 Q9NZJ5 1/20 0.53
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
XBP1 P17861 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
KDR P35968 2/20 0.49
DHODH Q02127 4/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL468509 0.85 DHODH (0.65) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL468664 0.81 DHODH (0.76) DHODH
SCHEMBL2404031 0.80 DHODH (0.52) MAPTKDM4EDHODHTP53LMNA
SCHEMBL2821937 0.79 NPC1 (0.43) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL3668796 0.78 DHODH (0.82) DHODH
SCHEMBL29101218 0.77 MAPT (0.58) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL468578 0.75 DHODH (0.75) DHODH
SCHEMBL18796169 0.74 NPC1 (0.51) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL2821932 0.74 DHODH (0.53) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL14985070 0.74 BRAF (0.52) BRAFEIF2AK3RAB9AMAPTNPC1

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 BRAF 3553/4885EIF2AK3 3603/4885RAB9A 1688/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD BRAF 3553/4885EIF2AK3 3603/4885RAB9A 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.