SCHEMBL784573

SCHEMBL784573

c1ccc(CCn2cnc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 1.00
TDP1 Q9NUW8 1/20 0.72
CYP11B1 P15538 5/20 0.69
CYP11B2 P19099 5/20 0.69
TNF P01375 1/20 0.69
EGLN3 Q9H6Z9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 4/20 0.60
LTA4H P09960 1/20 0.60
PKM P14618 1/20 0.59
TSHR P16473 2/20 0.58
ALOX15 P16050 1/20 0.58
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL229982 0.90 HTT (0.81) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL24041743 0.87 HTT (0.76) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL16147345 0.87 HTT (0.77) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL7259109 0.87 HTT (0.77) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL13186931 0.87 HTT (0.77) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL11313566 0.87 HTT (0.77) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL24041805 0.86 HTT (0.74) HTTTDP1CYP11B1CYP11B2TNF
Hydrochloric Acid SCHEMBL30341872 0.85 HTT (0.74) HTTTDP1CYP11B1CYP11B2TNF
Hydrochloric Acid SCHEMBL29006871 0.85 HTT (0.74) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL9775011 0.85 HTT (0.74) HTTTDP1CYP11B1CYP11B2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020895-B Synthesis method of metal-catalyzed 1-benzylamino-substituted benzimidazole 枣庄学院 2020-04-24 CN claimed
EP-2080822-B1 DIRECT PLATING METHOD AND SOLUTION FOR PALLADIUM CONDUCTOR LAYER FORMATION UEMURA KOGYO KK (JP) 2017-03-29 EP claimed
US-8992756-B2 Direct plating method and solution for palladium conductor layer formation C. UYEMURA & CO., LTD. (JP) 2015-03-31 US claimed
US-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 US disclosed
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors Tseng, Yufeng Jane (US) 2022-06-28 US disclosed
CN-109020895-A A kind of synthetic method of the 1- benzamido group substituted benzimidazole of metal catalytic 枣庄学院 2018-12-18 CN disclosed
EP-2080822-B1 DIRECT PLATING METHOD AND SOLUTION FOR PALLADIUM CONDUCTOR LAYER FORMATION UEMURA KOGYO KK (JP) 2017-03-29 EP disclosed
US-8992756-B2 Direct plating method and solution for palladium conductor layer formation C. UYEMURA & CO., LTD. (JP) 2015-03-31 US disclosed
US-8766437-B2 Electrode structure, wiring body, adhesive connection structure, electronic device, and method for fabricating same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2014-07-01 US disclosed
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
EP-2440024-B1 CONNECTION METHOD SUMITOMO ELECTRIC INDUSTRIES (JP) 2014-03-12 EP disclosed
EP-1829987-A2 Surface treating agent and method for manufacturing coating using the same MEC COMPANY LTD. (JP) 2007-09-05 EP disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
CN-1895673-A The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-01-17 CN disclosed
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN-CILAG GMBH (DE) 2005-03-31 US disclosed
EP-1451196-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-01 EP disclosed
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
EP-1401838-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-31 EP disclosed
WO-2003044023-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-30 WO disclosed
WO-2002100862-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-19 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 (4 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-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure HRH2, HRH3, HRH4 HTT 2674/4885TDP1 3571/4885CYP11B1 1538/4885
US-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 HTT 2343/4885TDP1 343/4885CYP11B1 74/4885
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors DAO, DDO, IL4I1 HTT 3592/4885TDP1 1108/4885CYP11B1 633/4885
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine AIFM1, PTGIS, ATP6V1B2 HTT 4117/4885TDP1 1616/4885CYP11B1 17/4885

“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.