SCHEMBL10076892

SCHEMBL10076892

CCNC(=O)N[C@@H](C(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.47
PKM P14618 1/20 0.45
CASR P41180 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EPHX2 P34913 4/20 0.43
TACR3 P29371 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL753128 0.88 NAALAD2 (0.59) NAALAD2PKMCASRMEN1KMT2A
SCHEMBL8919391 0.85 NAALAD2 (0.46) NAALAD2PKMCASRMEN1KMT2A
SCHEMBL890069 0.84 CASR (0.47) NAALAD2PKMCASRMEN1KMT2A
SCHEMBL13188016 0.84 PKM (0.43) NAALAD2PKMMEN1KMT2ACYP3A4
SCHEMBL18782923 0.83 PKM (0.46) NAALAD2PKMCASRMEN1KMT2A
SCHEMBL8907595 0.83 PKM (0.46) NAALAD2PKMCASRMEN1KMT2A
SCHEMBL12175115 0.81 CASR (0.44) NAALAD2PKMCASRMEN1KMT2A
SCHEMBL13480537 0.81 NPSR1 (0.58) PKMCASRMEN1KMT2AEPHX2
SCHEMBL890110 0.81 TACR3 (0.45) NAALAD2KMT2AMTNR1AMTNR1BTACR3
SCHEMBL15443129 0.79 LMNA (0.51) MEN1KMT2ACYP3A4CYP2C19MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (15 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NAALAD2 2101/4885PKM 954/4885CASR 4817/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS NAALAD2 1402/4885PKM 2520/4885CASR 4809/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAALAD2 872/4885PKM 3874/4885CASR 4838/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NAALAD2 2518/4885PKM 2497/4885CASR 4563/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NAALAD2 2101/4885PKM 954/4885CASR 4817/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAALAD2 872/4885PKM 3874/4885CASR 4838/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NAALAD2 872/4885PKM 3874/4885CASR 4838/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 NAALAD2 1989/4885PKM 2169/4885CASR 4866/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L NAALAD2 2440/4885PKM 620/4885CASR 4862/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NAALAD2 1627/4885PKM 2496/4885CASR 4811/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 NAALAD2 1656/4885PKM 2088/4885CASR 4854/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NAALAD2 872/4885PKM 3874/4885CASR 4838/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NAALAD2 2518/4885PKM 2497/4885CASR 4563/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAALAD2 872/4885PKM 3874/4885CASR 4838/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAALAD2 872/4885PKM 3874/4885CASR 4838/4885

“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.