SCHEMBL728067

SCHEMBL728067

O=C(O)c1cccnc1Nc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1F

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.79
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 2/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 2/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
UGT1A1 P22309 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PMP22 Q01453 1/20 0.48
TEAD4 Q15561 1/20 0.48
HIF1A Q16665 1/20 0.48
GPR35 Q9HC97 1/20 0.48

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
SCHEMBL3728325 0.90 DHODH (0.67) DHODHALDH1A1
SCHEMBL729452 0.88 DHODH (1.00) DHODHMEN1PKMKMT2AMAPK1
SCHEMBL728088 0.88 DHODH (0.75) DHODHHDAC6MEN1PKMKMT2A
SCHEMBL729482 0.86 DHODH (0.78) DHODHMEN1PKMKMT2AMAPK1
SCHEMBL290518 0.86 DHODH (0.81) DHODHMEN1PKMKMT2AALDH1A1
SCHEMBL9943405 0.86 DHODH (0.61) DHODH
SCHEMBL9943404 0.84 DHODH (0.58) DHODH
SCHEMBL3873430 0.83 DHODH (0.82) DHODHMEN1PKMKMT2AMAPK1
SCHEMBL3872768 0.82 DHODH (0.80) DHODHMEN1KMT2AHTT
SCHEMBL13974154 0.82 DHODH (0.80) DHODHMEN1PKMKMT2AMAPK1

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-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-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
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
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
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 1/4885HDAC6 1354/4885MEN1 4210/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885HDAC6 1354/4885MEN1 4210/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885HDAC6 891/4885MEN1 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.