SCHEMBL969807

SCHEMBL969807

CC(=O)Nc1cccc(-c2ccc(Br)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
CYP17A1 P05093 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NQO2 P16083 2/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
NTSR1 P30989 1/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.54
PIP4K2A P48426 1/20 0.54
PIP4K2B P78356 1/20 0.54
MGLL Q99685 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL8577619 0.88 SMN1; SMN2 (0.70) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL3786463 0.86 NQO2 (0.73) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL12999591 0.85 NPC1 (0.69) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL9293265 0.83 IDO1 (0.64) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL4654909 0.83 ALDH1A1 (0.67) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL14384612 0.83 CNR1 (0.71) CYP17A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL9339755 0.82 SMN1; SMN2 (0.79) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL1749196 0.82 MEN1 (0.59) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL12919978 0.81 CYP17A1 (0.60) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL6792137 0.81 CYP17A1 (0.60) RAB9ACYP17A1CYP11B1CYP11B2HSD17B1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190105304-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-04-11 US disclosed
US-9937155-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-04-10 US disclosed
US-9937155-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-04-10 US disclosed
US-20180021311-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 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
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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 RAB9A 4643/4885CYP17A1 258/4885CYP11B1 121/4885
US-20190105304-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS DHODH, DHFR, DPYD RAB9A 4643/4885CYP17A1 258/4885CYP11B1 121/4885
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, HAAO, TALDO1 RAB9A 4469/4885CYP17A1 240/4885CYP11B1 152/4885
US-11147801-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors DHODH, DHFR, DDO RAB9A 4744/4885CYP17A1 213/4885CYP11B1 114/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 RAB9A 377/4885CYP17A1 3352/4885CYP11B1 886/4885
US-20170224663-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, DHFR, DDO RAB9A 4744/4885CYP17A1 213/4885CYP11B1 114/4885

“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.