SCHEMBL3726533

SCHEMBL3726533

Cc1c(-c2ccccc2)cc(F)c(N)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
PTGS1 P23219 4/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.36
PTGS2 P35354 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL21199977 0.88 ALOX5AP (0.42) DHODHALDH1A1HSD17B10PDE4APDE4B
SCHEMBL16934070 0.80 DHODH (0.42) DHODHSQORPTGS1ESR2MEN1
SCHEMBL27902943 0.80 HSD17B10 (0.41) ALDH1A1HSD17B10PTGS1ALOX5APFEN1
SCHEMBL30490379 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL27784700 0.79 SQOR (0.36) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL7077947 0.78 DHODH (0.40) DHODHALDH1A1SQORPTGS1ALOX5AP
SCHEMBL28395841 0.77 HSD17B10 (0.46) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL2312693 0.77 ESR2 (0.40) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL18582910 0.77 NUDT1 (0.45) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL27907556 0.76 HSD17B10 (0.41) ALDH1A1HSD17B10ALOX5APFEN1SMARCA2

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 DHODH 1/4885ALDH1A1 147/4885HSD17B10 455/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885ALDH1A1 147/4885HSD17B10 455/4885

“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.