SCHEMBL729540

SCHEMBL729540

O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 1.00
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL727817 0.96 DHODH (1.00) DHODH
SCHEMBL13974154 0.89 DHODH (0.80) DHODHMEN1PKMMAPK1HTT
SCHEMBL3726595 0.87 DHODH (0.83) DHODHMEN1PKMMAPK1HTT
SCHEMBL356005 0.86 DHODH (1.00) DHODH
Aslan-003 SCHEMBL355081 0.85 DHODH (1.00) DHODHMEN1PKMMAPK1HTT
Aslan-003 SCHEMBL29409728 0.85 DHODH (1.00) DHODHMEN1PKMMAPK1HTT
Aslan-003 SCHEMBL29364008 0.85 DHODH (1.00) DHODHMEN1PKMMAPK1HTT
SCHEMBL727463 0.85 DHODH (0.81) DHODHMEN1PKMMAPK1HTT
SCHEMBL729188 0.85 DHODH (1.00) DHODH
SCHEMBL728033 0.84 DHODH (0.77) DHODH

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2296663-B1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL SA (ES) 2017-08-16 EP claimed
US-8865728-B2 Combinations comprising methotrexate and DHODH inhibitors ALMIRALL, S.A. (ES) 2014-10-21 US claimed
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-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS 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
WO-2019012030-A1 DHODH INHIBITOR AND CHK1 INHIBITOR FOR TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-01-17 WO disclosed
EP-2296663-B1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL SA (ES) 2017-08-16 EP disclosed
WO-2009153043-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-12-23 WO 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 (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 1/4885MEN1 4210/4885PKM 4651/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885MEN1 4210/4885PKM 4651/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885MEN1 3384/4885PKM 4437/4885

“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.