SCHEMBL3732479

SCHEMBL3732479

COC(=O)c1ccncc1Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.49
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DHODH Q02127 2/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ PIM2 Q9P1W9 2/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ BAD Q92934 1/20 0.45
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL31613387 0.82 KDM4E (0.45) KDM4EALDH1A1POLBATMHSD17B10
SCHEMBL26985120 0.82 KDM4E (0.45) KDM4EALDH1A1POLBATMHSD17B10
SCHEMBL3885464 0.82 MAP2K1 (0.60) KDM4EALDH1A1GLAGAADHODH
SCHEMBL29781369 0.82 MAP2K1 (0.60) KDM4EALDH1A1GLAGAADHODH
SCHEMBL3726714 0.82 GAA (0.48) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL29867895 0.81 MAPT (0.67) KDM4EALDH1A1POLBATMGLA
SCHEMBL2023347 0.81 MAPT (0.67) KDM4EALDH1A1POLBATMGLA
SCHEMBL29781342 0.81 DHODH (0.48) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL3725649 0.79 DHODH (0.50) KDM4EALDH1A1GLAGAADHODH
SCHEMBL21056732 0.79 L3MBTL1 (0.65) KDM4EALDH1A1ATMGLAGAA

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 KDM4E 2755/4885ALDH1A1 147/4885POLB 2182/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO KDM4E 2755/4885ALDH1A1 147/4885POLB 2182/4885

“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.

Send feedback