SCHEMBL3761479

SCHEMBL3761479

Nc1ccc2c(c1)ncn2Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.66
CYP11B2 P19099 7/20 0.66
TNF P01375 1/20 0.66
MAPT P10636 1/20 0.62
HSD17B10 Q99714 1/20 0.62
FGFR1 P11362 1/20 0.56
ERBB2 P04626 1/20 0.55
NR1I2 O75469 4/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 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
SCHEMBL3767345 0.88 CYP11B1 (0.66) CYP11B1CYP11B2TNFERBB2NR1I2
SCHEMBL3049751 0.81 MAPT (0.55) CYP11B1CYP11B2TNFMAPTHSD17B10
SCHEMBL166982 0.81 QPCT (0.65) CYP11B1CYP11B2MAPTHSD17B10FGFR1
SCHEMBL15345067 0.81 CYP11B1 (0.68) CYP11B1CYP11B2TNFFGFR1ERBB2
SCHEMBL19911426 0.81 CYP11B1 (0.66) CYP11B1CYP11B2TNFERBB2NR1I2
SCHEMBL15206007 0.81 CYP11B1 (0.66) CYP11B1CYP11B2TNFERBB2NR1I2
SCHEMBL7035206 0.81 QPCT (0.67) CYP11B1CYP11B2MAPTHSD17B10FGFR1
SCHEMBL2022520 0.81 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL19911417 0.80 MAPT (0.70) CYP11B1CYP11B2TNFMAPTHSD17B10
SCHEMBL2025143 0.80 CYP11B1 (0.69) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 WO disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (5 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 CYP11B1 450/4885CYP11B2 434/4885TNF 3587/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 CYP11B1 479/4885CYP11B2 462/4885TNF 3608/4885
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 CYP11B1 640/4885CYP11B2 607/4885TNF 4147/4885
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 CYP11B1 1348/4885CYP11B2 1090/4885TNF 4016/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 CYP11B1 640/4885CYP11B2 607/4885TNF 4147/4885

“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.