SCHEMBL729456

SCHEMBL729456

COc1cccc(-c2ccc(Nc3cnccc3C(=O)O)c(OC(F)(F)F)c2)c1.[LiH]

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.81
KDM4C Q9H3R0 4/20 0.51
KDM5A P29375 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
MCL1 Q07820 1/20 0.47
CASP8 Q14790 1/20 0.47
DGAT2 Q96PD7 3/20 0.47

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
SCHEMBL9943542 0.99 DHODH (0.83) DHODHKDM4CKDM5AKDM5BKDM4E
SCHEMBL9943408 0.91 DHODH (0.83) DHODHKDM4CKDM5AKDM5BDGAT2
Lithium Ion SCHEMBL729455 0.90 DHODH (1.00) DHODHKDM4CKDM5AKDM5BDGAT2
SCHEMBL729531 0.85 DHODH (0.64) DHODH
SCHEMBL9943607 0.84 DHODH (0.65) DHODH
SCHEMBL729153 0.83 DHODH (0.80) DHODHKDM4CKDM5AKDM5B
SCHEMBL9943342 0.82 DHODH (0.82) DHODHKDM4CKDM5AKDM5B
SCHEMBL729459 0.82 DHODH (0.71) DHODH
SCHEMBL9952764 0.80 KDM4E (0.67) DHODHKDM4CKDM4EAPAF1RECQL
Aslan-003 SCHEMBL3935061 0.78 DHODH (0.67) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. 2012-11-22 US claimed
US-8258308-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2012-09-04 US claimed
EP-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 EP claimed
WO-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
EP-2444088-A1 Amino derivatives for the treatment of proliferative skin disorders Almirall, S.A. (ES) 2012-04-25 EP claimed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 EP claimed
JP-2011524392-A 2011-09-01 JP claimed
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-06-02 US claimed
EP-2296663-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall, S.A. (ES) 2011-03-23 EP claimed
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 US claimed
WO-2009153043-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-12-23 WO claimed
EP-2135610-A1 Combination comprising DHODH inhibitors and methotrexate Laboratorios Almirall, S.A. (ES) 2009-12-23 EP claimed
US-8865728-B2 Combinations comprising methotrexate and DHODH inhibitors ALMIRALL, S.A. (ES) 2014-10-21 US disclosed
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
WO-2009153043-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-12-23 WO disclosed
EP-2135610-A1 Combination comprising DHODH inhibitors and methotrexate Laboratorios Almirall, S.A. (ES) 2009-12-23 EP 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 (3 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
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885KDM4C 3252/4885KDM5A 1149/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885KDM4C 3213/4885KDM5A 2278/4885

“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.