SCHEMBL890170

SCHEMBL890170

CC(=O)[C@H](C)N(C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL9267301 1.00 KMT2A (0.56) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL888819 0.87 KMT2A (0.55) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL13484482 0.87 KMT2A (0.55) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL40674 0.87 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL3054171 0.87 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL7144646 0.87 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL29247750 0.85 KMT2A (0.56) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL19182844 0.84 KMT2A (0.55) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL17372647 0.84 KMT2A (0.55) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL1370500 0.83 MEN1 (0.56) KMT2AMEN1ADRA2BHTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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-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 (14 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 KMT2A 1865/4885MEN1 4868/4885ADRA2B 3523/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS KMT2A 2840/4885MEN1 4813/4885ADRA2B 4238/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885ADRA2B 3726/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885MEN1 4782/4885ADRA2B 3763/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KMT2A 1865/4885MEN1 4868/4885ADRA2B 3523/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885ADRA2B 3726/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KMT2A 2014/4885MEN1 4801/4885ADRA2B 4041/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KMT2A 2844/4885MEN1 4836/4885ADRA2B 4053/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KMT2A 2014/4885MEN1 4801/4885ADRA2B 4041/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KMT2A 2241/4885MEN1 4800/4885ADRA2B 4152/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885ADRA2B 3726/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885MEN1 4782/4885ADRA2B 3763/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885ADRA2B 3726/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885ADRA2B 3726/4885

“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.