SCHEMBL15973293

SCHEMBL15973293

Cn1nnc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
FAAH O00519 2/20 0.46
MGLL Q99685 1/20 0.46
PARP1 P09874 1/20 0.45
PSMB8 P28062 1/20 0.45
LMNA P02545 2/20 0.42
AVPR1B P47901 1/20 0.41
HDAC1 Q13547 1/20 0.41
CNR2 P34972 1/20 0.41
JAK1 P23458 1/20 0.41
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MAPK14 Q16539 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 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
SCHEMBL15973342 0.91 DHODH (0.48) DHODHFAAHMGLLPARP1AVPR1B
SCHEMBL15972790 0.91 HRH3 (0.48) DHODHPARP1LMNAHDAC1ALDH1A1
SCHEMBL17921457 0.90 DHODH (0.49) DHODHFAAHMGLLPARP1HDAC1
SCHEMBL17921460 0.89 DHODH (0.51) DHODHFAAHMGLLPARP1PSMB8
SCHEMBL25939468 0.85 DHODH (0.46) DHODHFAAHMGLLPARP1PSMB8
SCHEMBL15974119 0.85 DHODH (0.50) DHODHFAAHMGLLPARP1PSMB8
SCHEMBL15973570 0.84 DHODH (0.60) DHODHFAAHMGLL
SCHEMBL15974133 0.82 DHODH (0.51) DHODHFAAHMGLLPARP1PSMB8
SCHEMBL17910021 0.80 DHODH (0.52) DHODHFAAHMGLLPARP1
SCHEMBL17921465 0.80 DHODH (0.61) DHODHFAAHMGLLPARP1ALDH1A1

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 24 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
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
WO-2019164794-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AGIOS PHARMACEUTICALS, INC. (US) 2019-08-29 WO disclosed
US-20190105304-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-04-11 US 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 (7 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 1/4885FAAH 1193/4885MGLL 3789/4885
US-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives BRDT, BRPF3, BRD4 DHODH 441/4885FAAH 4300/4885MGLL 4622/4885
US-20190105304-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS DHODH, DHFR, DPYD DHODH 1/4885FAAH 1193/4885MGLL 3789/4885
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, HAAO, TALDO1 DHODH 1/4885FAAH 454/4885MGLL 2775/4885
US-11147801-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors DHODH, DHFR, DDO DHODH 1/4885FAAH 993/4885MGLL 3331/4885
US-20210113531-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES BRDT, BRPF3, BRD4 DHODH 441/4885FAAH 4300/4885MGLL 4622/4885
US-20170224663-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, DHFR, DDO DHODH 1/4885FAAH 993/4885MGLL 3331/4885

“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.