SCHEMBL3728646

SCHEMBL3728646

O=C(O)c1cccnc1Nc1c(F)cc(Br)cc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.70
LMNA P02545 3/20 0.59
GAA P10253 1/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
UGT1A1 P22309 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL12082585 0.83 LMNA (0.80) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3725645 0.82 DHODH (0.72) DHODHLMNAGAAMEN1KMT2A
SCHEMBL727812 0.81 DHODH (0.74) DHODHLMNAGAA
SCHEMBL729207 0.79 DHODH (1.00) DHODHLMNAGAAMEN1KMT2A
SCHEMBL1487323 0.79 DHODH (0.76) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3729818 0.77 DHODH (0.71) DHODHCLCN2
SCHEMBL3807873 0.77 DHODH (0.77) DHODHLMNAGAAMEN1KMT2A
Aslan-003 SCHEMBL355081 0.76 DHODH (1.00) DHODHMEN1KMT2ARAB9ANPC1
Aslan-003 SCHEMBL29409728 0.76 DHODH (1.00) DHODHMEN1KMT2ARAB9ANPC1
Aslan-003 SCHEMBL29364008 0.76 DHODH (1.00) DHODHMEN1KMT2ARAB9ANPC1

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 7 patents. 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 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
EP-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 EP disclosed
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 US 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 (2 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 1/4885LMNA 4082/4885GAA 1502/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885LMNA 4082/4885GAA 1502/4885

“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.