SCHEMBL9943342

SCHEMBL9943342

O=C(O)c1ccncc1Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.82
KDM4C Q9H3R0 3/20 0.59
KDM5A P29375 1/20 0.59
KDM5B Q9UGL1 1/20 0.59
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
IGF2BP2 Q9Y6M1 1/20 0.45

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
SCHEMBL729153 0.99 DHODH (0.80) DHODHKDM4CKDM5AKDM5BCSNK2A2
SCHEMBL3736385 0.91 DHODH (0.80) DHODHKDM4CKDM5AKDM5B
Lithium Ion SCHEMBL729152 0.90 DHODH (1.00) DHODHKDM4CKDM5AKDM5BCSNK2A2
SCHEMBL9943607 0.88 DHODH (0.65) DHODH
SCHEMBL729531 0.87 DHODH (0.64) DHODH
SCHEMBL9943553 0.85 DHODH (0.82) DHODHKDM4C
SCHEMBL727801 0.84 DHODH (0.61) DHODHKDM4C
SCHEMBL727804 0.84 DHODH (0.81) DHODHKDM4C
SCHEMBL18109142 0.84 DHODH (0.72) DHODHIGF2BP2
SCHEMBL9943542 0.83 DHODH (0.83) DHODHKDM4CKDM5AKDM5B

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 3 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
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 1/4885KDM4C 3252/4885KDM5A 1149/4885

“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.