SCHEMBL2777255

SCHEMBL2777255

Nc1ccc(CCc2ccc(N)c(N)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GFER P55789 1/20 0.48
SKP2 Q13309 1/20 0.45
CYP19A1 P11511 3/20 0.44
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42

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
SCHEMBL28390632 0.88 MAOB (0.60) GFERCYP19A1ALOX15SMN1; SMN2MAOA
SCHEMBL5255146 0.87 TAAR1 (0.52) TDP1GFERALDH1A1ALOX15TP53
SCHEMBL28814374 0.87 TDP1 (0.42) TDP1MEN1KMT2AGFERSKP2
SCHEMBL5604961 0.85 SKP2 (0.53) TDP1MEN1KMT2AGFERSKP2
SCHEMBL27931206 0.85 TDP1 (0.40) TDP1MEN1KMT2AGFERSKP2
SCHEMBL4720461 0.85 ALDH1A1 (0.52) TDP1MEN1KMT2ASKP2CYP19A1
SCHEMBL28127455 0.85 SLC6A2 (0.43) TDP1MEN1KMT2AGFERSKP2
SCHEMBL1519089 0.85 SKP2 (0.44) TDP1MEN1KMT2AGFERSKP2
SCHEMBL295465 0.82 CYP3A4 (0.61) TDP1MEN1KMT2AGFERSKP2
SCHEMBL29799746 0.82 CYP3A4 (0.61) TDP1MEN1KMT2AGFERSKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-5773197-A Integrated circuit device and process for its manufacture INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-06-30 US disclosed
EP-0293091-B1 POLY(AMIDE-BENZAZOLES) MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-13 EP disclosed
US-4448954-A Single stage production of improved high molecular weight polybenzimidazole with organosilicon halide catalyst. CELANESE CORPORATION (US) 1984-05-15 US disclosed
EP-0103978-A1 Single stage production of improved high molecular weight polybenzimidazole CELANESE CORPORATION (US) 1984-03-28 EP disclosed
US-4431796-A HEATING A MELT OF AROMATIC TETRAAMINE AND AROMATIC DICARBOXYLIC AC CELANESE CORPORATION (US) 1984-02-14 US disclosed
EP-0095348-A2 High molecular weight polybenzimidazoles CELANESE CORPORATION (US) 1983-11-30 EP disclosed
US-4414383-A High molecular weight polybenzimidazole preparation with phosphorus containing polymerization catalyst CELANESE CORPORATION (US) 1983-11-08 US disclosed
US-4113683-A Production of high temperature resistant polymer compositions capable of forming superior fiber reinforced composite articles CELANESE CORPORATION (US) 1978-09-12 US disclosed
US-3987015-A PROCESS FOR THE PRODUCTION OF PARTICULATE POLYMERIC MATERIAL HAVING AN UNUSUALLY HIGH SURFACE AREA CELANESE CORPORATION (US) 1976-10-19 US disclosed
US-3985679-A POLY(BISBENIMIDAZOBENZOPHENANTHROLINE) CELANESE CORPORATION (US) 1976-10-12 US disclosed
US-3969325-A Production of particulate BBB type polymer having an unusually high surface area CELANESE CORPORATION (US) 1976-07-13 US disclosed
US-3969430-A Processability of intractable polymers CELANESE CORPORATION (US) 1976-07-13 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 (1 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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS TDP1 3331/4885MEN1 4867/4885KMT2A 4516/4885

“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.