SCHEMBL2284243

SCHEMBL2284243

Nc1ccc(C(=O)CCl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.52
ALDH1A1 P00352 9/20 0.48
HIF1A Q16665 3/20 0.48
MAPK1 P28482 3/20 0.48
TRPA1 O75762 1/20 0.48
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMO O15229 2/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL31318386 1.00 GSK3B (0.52) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL28293607 0.84 GSK3B (0.53) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL20447579 0.84 GSK3B (0.48) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL8879619 0.82 GSK3B (0.52) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL11743910 0.82 GSK3B (0.47) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL18788928 0.81 MAPT (0.41) ALDH1A1MAPK1KDM4ETP53MAPT
SCHEMBL10740176 0.79 ATM (0.49) ALDH1A1MAPK1KDM4EMAPTRAB9A
SCHEMBL10493941 0.78 GSK3B (0.43) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL11480265 0.77 GSK3B (0.80) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL3148795 0.76 NR4A2 (0.53) ALDH1A1HIF1ARAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
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-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 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-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 WO disclosed
US-5384252-A Cyclization of an unsaturated molecule with sulfonate leaving group THE SCRIPPS RESEARCH INSTITUTE (US) 1995-01-24 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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS GSK3B 519/4885ALDH1A1 1144/4885HIF1A 4316/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GSK3B 519/4885ALDH1A1 1144/4885HIF1A 4316/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GSK3B 519/4885ALDH1A1 1144/4885HIF1A 4316/4885

“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.