SCHEMBL3728446

SCHEMBL3728446

Cc1cc(N)c(F)cc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
PRMT1 Q99873 1/20 0.43
XDH P47989 1/20 0.42
DHODH Q02127 2/20 0.42
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
PIM1 P11309 4/20 0.41
PIM2 Q9P1W9 4/20 0.41
KIF11 P52732 1/20 0.39
ATR Q13535 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
DYRK1A Q13627 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
GPR3 P46089 1/20 0.38
POLQ O75417 1/20 0.37

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
SCHEMBL3729841 0.84 KDM1A (0.51) ADORA1ADORA2ADHODHKCNH2DYRK1A
SCHEMBL3730186 0.81 TP53 (0.47)
SCHEMBL3733529 0.80 ADORA1 (0.46) ADORA1ADORA2APRMT1XDHDHODH
SCHEMBL10094691 0.78 GPR3 (0.44) SCN9AADORA1ADORA2AXDHDHODH
SCHEMBL1337687 0.78 XDH (0.47) ADORA1ADORA2APRMT1XDHDHODH
SCHEMBL278095 0.77 GPR3 (0.48) SCN9AADORA1ADORA2AXDHDHODH
SCHEMBL3725786 0.77 ALDH1A1 (0.53) ADORA1ADORA2APRMT1XDHDHODH
SCHEMBL399198 0.76 ADORA1 (0.53) ADORA1ADORA2AXDHKCNH2SCN10A
SCHEMBL5542629 0.76 ADORA2A (0.47) SCN9AADORA1ADORA2AXDHDHODH
SCHEMBL21770721 0.75 ADORA1 (0.47) ADORA1ADORA2APRMT1XDHKCNH2

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-8691852-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors AMIRALL, S.A. (ES) 2014-04-08 US disclosed
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. 2012-11-22 US disclosed
US-8258308-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
EP-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 EP disclosed
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 US disclosed
EP-2121614-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2009-11-25 EP disclosed
WO-2008077639-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-03 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-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO SCN9A 315/4885ADORA1 391/4885ADORA2A 547/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO SCN9A 315/4885ADORA1 391/4885ADORA2A 547/4885

“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.