SCHEMBL728038

SCHEMBL728038

Cc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 1.00
CLCN2 P51788 1/20 0.54
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 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
SCHEMBL356028 0.87 DHODH (1.00) DHODHCLCN2LMNAGAAMEN1
SCHEMBL354131 0.87 DHODH (1.00) DHODHCLCN2LMNAGAAMEN1
Water SCHEMBL356057 0.86 DHODH (0.98) DHODHCLCN2LMNAGAAMEN1
SCHEMBL1487323 0.84 DHODH (0.76) DHODHCLCN2LMNAGAAMEN1
SCHEMBL3725645 0.80 DHODH (0.72) DHODHCLCN2LMNAGAAMEN1
Tromethamine SCHEMBL16741990 0.80 DHODH (0.85) DHODHLMNAGAAMEN1KMT2A
SCHEMBL729556 0.78 DHODH (0.81) DHODHLMNAGAAMEN1NPC1
SCHEMBL3872950 0.78 DHODH (0.69) DHODH
SCHEMBL729207 0.77 DHODH (1.00) DHODHCLCN2LMNAGAAMEN1
SCHEMBL729595 0.76 DHODH (1.00) DHODHLMNAGAAHDAC6

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 31 patents — showing the first 20. 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 claimed
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. 2012-11-22 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 1/4885CLCN2 2129/4885LMNA 4082/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885CLCN2 2129/4885LMNA 4082/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885CLCN2 2216/4885LMNA 2709/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885CLCN2 3917/4885LMNA 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.