SCHEMBL844883

SCHEMBL844883

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)cc2)cc1)[C@@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
LMNA P02545 1/20 0.69
HSD17B10 Q99714 1/20 0.68
KDM1A O60341 1/20 0.67
RCOR1 Q9UKL0 1/20 0.67
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.58
GFER P55789 1/20 0.57
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.55
CTRB1 P17538 1/20 0.55
CTSK P43235 2/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
F10 P00742 1/20 0.51
CTSL P07711 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL844832 0.97 KDM4E (0.73) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845252 0.97 KDM4E (0.73) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845504 0.93 KDM4E (0.68) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL20221403 0.90 KDM4E (0.58) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13272434 0.90 KDM4E (0.64) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL7265734 0.88 KDM4E (0.78) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL7265745 0.88 KDM4E (0.78) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13272430 0.87 KDM4E (0.61) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13272441 0.87 KDM4E (0.61) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13388185 0.87 KDM4E (0.77) KDM4ELMNAHSD17B10KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP 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 (5 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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KDM4E 3572/4885LMNA 4392/4885HSD17B10 2499/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 KDM4E 3572/4885LMNA 4392/4885HSD17B10 2499/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KDM4E 3572/4885LMNA 4392/4885HSD17B10 2499/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KDM4E 3572/4885LMNA 4392/4885HSD17B10 2499/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KDM4E 3714/4885LMNA 4275/4885HSD17B10 2646/4885

“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.