SCHEMBL9943607

SCHEMBL9943607

COc1cccc(-c2ccc(Nc3cnccc3C(=O)O)c(F)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.65
JMJD7 P0C870 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
ABCB1 P08183 2/20 0.51

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
SCHEMBL729531 0.99 DHODH (0.64) DHODHJMJD7NR4A1NR4A2NR4A3
SCHEMBL3723102 0.92 DHODH (0.66) DHODHJMJD7NR4A1NR4A2NR4A3
Lithium Ion SCHEMBL729530 0.90 DHODH (0.80) DHODHJMJD7NR4A1NR4A2NR4A3
SCHEMBL9943553 0.89 DHODH (0.82) DHODH
SCHEMBL727804 0.88 DHODH (0.81) DHODH
SCHEMBL9943342 0.88 DHODH (0.82) DHODH
SCHEMBL729153 0.87 DHODH (0.80) DHODH
SCHEMBL727801 0.86 DHODH (0.61) DHODH
SCHEMBL9943542 0.85 DHODH (0.83) DHODH
SCHEMBL729456 0.84 DHODH (0.81) DHODH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 EP claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885JMJD7 2708/4885NR4A1 2035/4885

“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.