SCHEMBL729595

SCHEMBL729595

Cc1c(-c2cccc(OC(F)(F)F)c2)cc(F)c(Nc2ncccc2C(=O)O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 1.00
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL729556 0.90 DHODH (0.81) DHODHLMNAGAA
SCHEMBL728033 0.86 DHODH (0.77) DHODH
SCHEMBL354131 0.85 DHODH (1.00) DHODHLMNAGAA
SCHEMBL356028 0.85 DHODH (1.00) DHODHLMNAGAA
Water SCHEMBL356057 0.84 DHODH (0.98) DHODHLMNAGAA
SCHEMBL729478 0.84 DHODH (0.81) DHODHHDAC6
SCHEMBL729195 0.84 DHODH (0.78) DHODH
SCHEMBL3872950 0.83 DHODH (0.69) DHODH
Tromethamine SCHEMBL16741990 0.80 DHODH (0.85) DHODHHDAC6LMNAGAA
SCHEMBL727458 0.80 DHODH (0.67) DHODHHDAC6LMNA

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 33 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
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
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO disclosed
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-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 US disclosed
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 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 1/4885HDAC6 1354/4885LMNA 4082/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885HDAC6 1354/4885LMNA 4082/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885HDAC6 453/4885LMNA 2709/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885HDAC6 891/4885LMNA 4338/4885

“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.