SCHEMBL2403049

SCHEMBL2403049

O=[N+]([O-])c1cnc(O)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
ELANE P08246 1/20 0.46
PTGS2 P35354 2/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 2/20 0.43
PAX8 Q06710 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
SCHEMBL2404650 0.82 ALDH1A1 (0.50) PTGDR2ALDH1A1RAB9APOLBPTGS2
SCHEMBL2404392 0.81 ALDH1A1 (0.49) PTGDR2ALDH1A1RAB9APOLBPTGS2
SCHEMBL14908747 0.81 ALDH1A1 (0.49) PTGDR2ALDH1A1RAB9APOLBPTGS2
SCHEMBL2406691 0.81 ALDH1A1 (0.49) PTGDR2ALDH1A1RAB9APOLBPTGS2
SCHEMBL2437022 0.78 CRHBP (0.55) PTGDR2ALDH1A1RAB9APOLBELANE
SCHEMBL2404284 0.77 ALDH1A1 (0.49) PTGDR2ALDH1A1RAB9APOLBPTGS2
SCHEMBL2405525 0.76 DHODH (0.47) PTGDR2ALDH1A1RAB9APOLBPTGS2
SCHEMBL31167616 0.75 MEN1 (0.59) PTGDR2ALDH1A1RAB9APOLBELANE
SCHEMBL536487 0.75 MEN1 (0.59) PTGDR2ALDH1A1RAB9APOLBELANE
SCHEMBL18131098 0.74 ALDH1A1 (0.51) PTGDR2ALDH1A1RAB9APOLBELANE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801931-B Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL SA 2014-05-14 CN 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
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
CN-101801931-A Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL LAB 2010-08-11 CN 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 PTGDR2 2528/4885ALDH1A1 82/4885RAB9A 1688/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD PTGDR2 2528/4885ALDH1A1 82/4885RAB9A 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.