SCHEMBL15974133

SCHEMBL15974133

Cn1nc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.51
PARP1 P09874 1/20 0.46
PSMB8 P28062 1/20 0.45
FAAH O00519 3/20 0.43
JAK1 P23458 1/20 0.43
MGLL Q99685 1/20 0.42
AVPR1B P47901 1/20 0.42
HDAC1 Q13547 1/20 0.41
CNR2 P34972 2/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP7 Q93009 1/20 0.40
NOS1 P29475 1/20 0.40

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
SCHEMBL15973385 0.90 DHODH (0.52) DHODHPARP1FAAHMGLLAVPR1B
SCHEMBL17921462 0.89 DHODH (0.56) DHODHPARP1PSMB8JAK1CNR2
SCHEMBL24060220 0.85 DHODH (0.54) DHODHPARP1PSMB8CNR2LMNA
SCHEMBL25939483 0.84 DHODH (0.50) DHODHPARP1PSMB8FAAHJAK1
SCHEMBL15974119 0.84 DHODH (0.50) DHODHPARP1PSMB8FAAHJAK1
SCHEMBL15973955 0.84 DHODH (0.66) DHODHFAAHMGLLCYP3A4CYP2D6
SCHEMBL25939468 0.82 DHODH (0.46) DHODHPARP1PSMB8FAAHJAK1
SCHEMBL15973293 0.82 DHODH (0.46) DHODHPARP1PSMB8FAAHJAK1
SCHEMBL23644574 0.80 DHODH (0.51) DHODHPARP1PSMB8FAAHAVPR1B
SCHEMBL17921461 0.79 DHODH (0.67) DHODHPARP1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3417850-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-12-26 EP claimed
EP-3019482-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-05-18 EP claimed
WO-2014128669-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-28 WO claimed
US-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives SERVIER PHARMACEUTICALS LLC (US) 2023-08-08 US disclosed
US-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives SERVIER PHARMACEUTICALS LLC (US) 2023-08-08 US disclosed
EP-3915557-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2021-12-01 EP disclosed
EP-3915557-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2021-12-01 EP disclosed
US-11147801-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-10-19 US disclosed
EP-3615027-B1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-07-14 EP disclosed
US-20210113531-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES SERVIER PHARMACEUTICALS LLC 2021-04-22 US disclosed
EP-3615027-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2020-03-04 EP disclosed
US-20180021311-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 US disclosed
US-20170224663-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-10 US disclosed
US-20170224663-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-10 US disclosed
US-9630932-B2 Trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors Um Pharmauji Sdn. Bhd. (MY) 2017-04-25 US disclosed
US-9630932-B2 Trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors Um Pharmauji Sdn. Bhd. (MY) 2017-04-25 US disclosed
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2016-07-14 US disclosed
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2016-07-14 US disclosed
EP-3019482-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-05-18 EP disclosed
WO-2014128669-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-28 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 (6 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-20180021311-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS DHODH, DHFR, DPYD DHODH 1/4885PARP1 2754/4885PSMB8 3979/4885
US-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives BRDT, BRPF3, BRD4 DHODH 441/4885PARP1 408/4885PSMB8 3979/4885
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, HAAO, TALDO1 DHODH 1/4885PARP1 2946/4885PSMB8 3481/4885
US-11147801-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors DHODH, DHFR, DDO DHODH 1/4885PARP1 3282/4885PSMB8 4133/4885
US-20210113531-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES BRDT, BRPF3, BRD4 DHODH 441/4885PARP1 408/4885PSMB8 3979/4885
US-20170224663-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, DHFR, DDO DHODH 1/4885PARP1 3282/4885PSMB8 4133/4885

“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.