SCHEMBL17910004

SCHEMBL17910004

CC(=O)Nc1cccc(-c2ccc(-c3ccc4c(c3)nnn4C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 8/20 0.57
RXFP1 Q9HBX9 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NSD2 O96028 1/20 0.53
CYP17A1 P05093 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
TGFBR1 P36897 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAP4K4 O95819 1/20 0.48
TSHR P16473 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL26802185 0.84 RAB9A (0.68) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL15973502 0.82 NPC1 (0.48) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL28687687 0.78 TDO2 (0.58) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL20873827 0.78 TDO2 (0.58) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL8577619 0.76 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL19330719 0.76 NSD2 (0.58) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL3786463 0.74 NQO2 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8971107 0.74 SMN1; SMN2 (0.50) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL13604179 0.74 RAB9A (0.77) RAB9ANPC1RXFP1SMN1; SMN2KDM4E
SCHEMBL12999591 0.73 NPC1 (0.69) RAB9ANPC1RXFP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630932-B2 Trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors Um Pharmauji Sdn. Bhd. (MY) 2017-04-25 US claimed
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2016-07-14 US claimed
US-11147801-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-10-19 US disclosed
US-20200078339-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2020-03-12 US disclosed
US-20180369206-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-27 US disclosed
US-10080740-B2 Trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-09-25 US disclosed
US-20180021311-A1 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 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

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 4643/4885NPC1 3013/4885RXFP1 2633/4885
US-20160200693-A1 Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, HAAO, TALDO1 RAB9A 4469/4885NPC1 1318/4885RXFP1 2322/4885
US-11147801-B2 Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors DHODH, DHFR, DDO RAB9A 4744/4885NPC1 2617/4885RXFP1 2515/4885
US-10080740-B2 Trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors DHODH, DHFR, DPYD RAB9A 4643/4885NPC1 3013/4885RXFP1 2633/4885
US-20200078339-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS DHODH, DHFR, DDO RAB9A 4744/4885NPC1 2617/4885RXFP1 2515/4885
US-20180369206-A1 Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors DHODH, DHFR, DDO RAB9A 4744/4885NPC1 2617/4885RXFP1 2515/4885

“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.