SCHEMBL2403880

SCHEMBL2403880

O=[N+]([O-])c1cnc(OCc2ccccc2)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
CYP19A1 P11511 6/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CNR1 P21554 1/20 0.49
ACHE P22303 1/20 0.49
CNR2 P34972 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MGMT P16455 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDR P35968 1/20 0.43
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL5262050 0.83 PIN1 (0.56) PIN1CYP19A1CYP11B1CYP11B2CNR1
SCHEMBL29831476 0.83 PIN1 (0.50) PIN1CYP19A1CYP11B1CYP11B2CNR1
SCHEMBL31093900 0.83 MAPT (0.52) PIN1CYP19A1CYP11B1CYP11B2CNR1
SCHEMBL2404313 0.82 CYP19A1 (0.57) PIN1CYP19A1CYP11B1CYP11B2CNR1
SCHEMBL3377453 0.78 KMT2A (0.44) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL7654335 0.77 MEN1 (0.65) CYP19A1CYP11B1CYP11B2CNR1ACHE
SCHEMBL4154373 0.75 SLC6A4 (0.56) PIN1CNR1ACHECNR2MEN1
SCHEMBL31219897 0.74 NOX1 (0.50) CNR1ACHECNR2MAPTMEN1
SCHEMBL544956 0.74 MEN1 (0.61) CYP19A1CYP11B1CYP11B2CNR1ACHE
SCHEMBL14988555 0.74 KMT2A (0.47) MAPTMEN1KMT2ALMNARAB9A

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 PIN1 3508/4885CYP19A1 256/4885CYP11B1 316/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD PIN1 3508/4885CYP19A1 256/4885CYP11B1 316/4885

“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.