SCHEMBL729198

SCHEMBL729198

COc1cccc(-c2c(F)c(F)c(Nc3ncccc3C(=O)O)c(F)c2F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 1.00
HTT P42858 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL729195 0.87 DHODH (0.78) DHODHHTTMEN1KMT2APKM
Aslan-003 SCHEMBL355081 0.86 DHODH (1.00) DHODHHTTMEN1KMT2APKM
Aslan-003 SCHEMBL29409728 0.86 DHODH (1.00) DHODHHTTMEN1KMT2APKM
Aslan-003 SCHEMBL29364008 0.86 DHODH (1.00) DHODHHTTMEN1KMT2APKM
SCHEMBL2713067 0.84 DHODH (0.77) DHODHHTTMEN1KMT2APKM
SCHEMBL729556 0.83 DHODH (0.81) DHODHHTTMEN1KMT2APKM
SCHEMBL12082535 0.83 DHODH (0.78) DHODHHTTMEN1KMT2APKM
Aslan-003 SCHEMBL3884279 0.81 DHODH (0.92) DHODHHTTMEN1KMT2APKM
SCHEMBL290518 0.81 DHODH (0.81) DHODHHTTMEN1KMT2APKM
SCHEMBL729458 0.79 DHODH (1.00) DHODHHTTMEN1KMT2APKM

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 40 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-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
WO-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS 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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 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 (4 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 1/4885HTT 941/4885MEN1 4210/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885HTT 941/4885MEN1 4210/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885HTT 22/4885MEN1 4519/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885HTT 2121/4885MEN1 3384/4885

“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.