SCHEMBL3728334

SCHEMBL3728334

COc1cccc(-c2ccc(N)c(F)c2)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
ERN1 O75460 1/20 0.47
KIT P10721 1/20 0.46
BACE1 P56817 4/20 0.46
APP P05067 2/20 0.46
CD274 Q9NZQ7 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSD P07339 1/20 0.44
DHODH Q02127 1/20 0.43
CYP1B1 Q16678 1/20 0.41
METAP2 P50579 1/20 0.41
CTSA P10619 1/20 0.41
RAF1 P04049 1/20 0.40

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
SCHEMBL17535975 0.78 ERN1 (0.51) ERN1BACE1APPPTGS2CYP3A4
SCHEMBL15624564 0.78 KDM1A (0.43) ERN1BACE1APPPTGS1ALDH1A1
SCHEMBL21715763 0.76 ALDH1A1 (0.46) ALOX5APFEN1ALDH1A1
SCHEMBL28189326 0.76 CYP1A2 (0.54) ERN1BACE1ALDH1A1CYP3A4HSD17B10
SCHEMBL10093046 0.75 ERN1 (0.49) ERN1BACE1APPCD274ALDH1A1
SCHEMBL396830 0.75 ALDH1A1 (0.55) ERN1BACE1PTGS1ALDH1A1CYP3A4
SCHEMBL6606923 0.74 ERN1 (0.51) ERN1BACE1APPALDH1A1CYP3A4
SCHEMBL21000574 0.74 FEN1 (0.53) ALOX5APFEN1BACE1PTGS1PTGS2
SCHEMBL25261815 0.73 KIT (0.50) ALOX5APFEN1KITALDH1A1CYP3A4
SCHEMBL19712987 0.72 ALDH1A1 (0.47) ERN1BACE1APPPTGS1ALDH1A1

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 ALOX5AP 1059/4885FEN1 4579/4885ERN1 3991/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO ALOX5AP 1059/4885FEN1 4579/4885ERN1 3991/4885

“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.