SCHEMBL5565092

SCHEMBL5565092

Nc1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.60
DHODH Q02127 3/20 0.57
GAA P10253 6/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
RPS6KA3 P51812 1/20 0.54
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GFER P55789 2/20 0.50
GLA P06280 2/20 0.50
CYP1A2 P05177 2/20 0.50
HTT P42858 1/20 0.50
RCE1 Q9Y256 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL6439291 0.88 PARP1 (0.64) PARP1DHODHGAANPC1RAB9A
SCHEMBL7477311 0.82 PKN1 (0.65) PARP1DHODHGAANPC1RAB9A
SCHEMBL22452564 0.81 HDAC6 (0.60) PARP1GAARPS6KA3MAPTPOLB
SCHEMBL31027910 0.81 HDAC6 (0.60) PARP1GAARPS6KA3MAPTPOLB
SCHEMBL5024091 0.81 NPC1 (0.54) PARP1DHODHGAANPC1RAB9A
SCHEMBL31027957 0.80 DHODH (0.59) PARP1DHODHGAANPC1RAB9A
SCHEMBL1894334 0.79 PARP1 (0.67) PARP1GAANPC1RAB9AALDH1A1
SCHEMBL24067330 0.79 DHODH (0.58) PARP1DHODHGAANPC1RAB9A
SCHEMBL18300830 0.79 DHODH (0.56) PARP1DHODHGAANPC1RAB9A
SCHEMBL56853 0.79 PARP1 (0.62) PARP1DHODHGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 EP claimed
CN-105789669-A Phosphonic acid doped cross-linked sulfonated polyiminobenzimidazole high-temperature proton exchange membrane and preparation method thereof 武汉理工大学 2016-07-20 CN disclosed
EP-1494668-A4 USE OF BENZIMIDAZOLE ANALOGS IN THE TREATMENT OF CELL PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-03-21 EP disclosed
US-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 US disclosed
US-20050197375-A1 Use of benzimidazole analogs in the treatment of cell proliferation AVANIR PHARMACEUTICALS 2005-09-08 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
EP-1494668-A2 USE OF BENZIMIDAZOLE ANALOGS IN THE TREATMENT OF CELL PROLIFERATION Avanir Pharmaceuticals (US) 2005-01-12 EP disclosed
US-20040116388-A1 triazine compoound inhibitors of enzymes that catalyze phosphoryl transfer and/or that bind ATP/GTP nucleotides AMGEN INC. 2004-06-17 US disclosed
WO-2003082186-A2 USE OF BENZIMIDAZOLE ANALOGS IN THE TREATMENT OF CELL PROLIFERATION AVANIR PHARMACEUTICALS (US) 2003-10-09 WO disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 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 (3 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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 PARP1 2352/4885DHODH 1391/4885GAA 1554/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 PARP1 2352/4885DHODH 1391/4885GAA 1554/4885
US-20050197375-A1 Use of benzimidazole analogs in the treatment of cell proliferation MKI67, CCNI, CDKN1A PARP1 318/4885DHODH 436/4885GAA 1414/4885

“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.