SCHEMBL2403768

SCHEMBL2403768

COc1ccc(F)c(-c2cc(C)c(N)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
DHODH Q02127 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
BACE1 P56817 3/20 0.39
PIM1 P11309 1/20 0.39
APP P05067 1/20 0.39
UHRF1 Q96T88 1/20 0.39
CTSD P07339 1/20 0.38
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 2/20 0.37
TGFBR1 P36897 2/20 0.36
POLQ O75417 1/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE4A P27815 1/20 0.36
PDE6B P35913 1/20 0.36

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
SCHEMBL13951687 0.82 TGFBR1 (0.44) DHODHPIM1UHRF1TGFBR1
SCHEMBL27322683 0.75 CCR1 (0.63) KDM1ADHODHNPC1RAB9APIM1
SCHEMBL27786997 0.74 CHRNA7 (0.43) UHRF1HSP90AA1HSP90AB1CYP2D6
SCHEMBL8430167 0.74 KDM1A (0.55) KDM1ADHODHNPC1RAB9APIM1
SCHEMBL8430229 0.73 KDM1A (0.52) KDM1ADHODHNPC1RAB9ABACE1
SCHEMBL20341731 0.73 KDM1A (0.52) KDM1ADHODHNPC1RAB9APIM1
SCHEMBL29419518 0.73 KDM1A (0.45) KDM1ANPC1RAB9ABACE1APP
SCHEMBL28691083 0.73 KDM1A (0.45) KDM1ANPC1RAB9ABACE1APP
SCHEMBL2403919 0.72 KDM1A (0.50) KDM1ADHODHNPC1RAB9APIM1
SCHEMBL2651772 0.71 CCR1 (0.56) KDM1ANPC1RAB9ATGFBR1CYP3A4

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 12 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
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
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
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US 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
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 KDM1A 895/4885DHODH 1/4885NPC1 1549/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD KDM1A 895/4885DHODH 1/4885NPC1 1549/4885

“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.