SCHEMBL2404650

SCHEMBL2404650

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TAAR1 Q96RJ0 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
PTGS2 P35354 2/20 0.46
KMT2A Q03164 3/20 0.44
OPRK1 P41145 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL2404670 0.84 ADORA2A (0.49) MAPTKMT2ARAB9AMEN1LMNA
SCHEMBL29739676 0.82 TAAR1 (0.52) ALDH1A1TAAR1MAPTHPGDKMT2A
SCHEMBL15391290 0.82 KMT2A (0.50) ALDH1A1TAAR1MAPTHPGDKMT2A
SCHEMBL2404162 0.82 ALDH1A1 (0.53) ALDH1A1TAAR1MAPTHPGDKMT2A
SCHEMBL14908747 0.82 ALDH1A1 (0.49) ALDH1A1PTGDR2MAPTHPGDPTGS2
SCHEMBL2403049 0.82 PTGDR2 (0.49) ALDH1A1PTGDR2MAPTHPGDPTGS2
SCHEMBL2404392 0.82 ALDH1A1 (0.49) ALDH1A1PTGDR2MAPTHPGDPTGS2
SCHEMBL2406691 0.82 ALDH1A1 (0.49) ALDH1A1PTGDR2MAPTHPGDPTGS2
SCHEMBL27808856 0.82 MAPT (0.49) ALDH1A1PTGDR2MAPTHPGDKMT2A
SCHEMBL2404284 0.81 ALDH1A1 (0.49) ALDH1A1PTGDR2MAPTHPGDPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 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-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP 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 (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-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 ALDH1A1 1402/4885TAAR1 4082/4885PTGDR2 2053/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD ALDH1A1 82/4885TAAR1 4809/4885PTGDR2 2528/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD ALDH1A1 82/4885TAAR1 4809/4885PTGDR2 2528/4885

“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.