SCHEMBL845205

SCHEMBL845205

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
ITGB1 P05556 5/20 0.52
ITGA4 P13612 5/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
KDM1A O60341 1/20 0.50
RCOR1 Q9UKL0 1/20 0.50
PABPC1 P11940 1/20 0.49
FKBP1A P62942 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL845226 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL13272444 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL1030175 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL15116912 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL845111 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL845160 0.96 HSD11B1 (0.53) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL845171 0.96 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL845408 0.95 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL845154 0.95 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAITGB1ITGA4
SCHEMBL845406 0.95 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAITGB1ITGA4

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 17 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-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-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
EP-2274281-B1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2015-05-27 EP 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-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 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
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 US disclosed
US-20110065737-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-17 US disclosed
EP-2274281-A1 HCV PROTEASE INHIBITORS Taigen Biotechnology Co., Ltd. (TW) 2011-01-19 EP disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
US-20090286814-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 US disclosed
WO-2009139792-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 WO 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 (7 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-20110065737-A1 HCV PROTEASE INHIBITORS RNASE1, HAVCR2, CTRL ALDH1A1 814/4885KDM4E 1513/4885LMNA 4510/4885
US-20090286814-A1 HCV PROTEASE INHIBITORS HAVCR2, SPINT2, RNASE1 ALDH1A1 982/4885KDM4E 1896/4885LMNA 4532/4885
US-20110178107-A1 HCV PROTEASE INHIBITORS HAVCR2, RNASE1, SERPINB1 ALDH1A1 714/4885KDM4E 2187/4885LMNA 4575/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KDM4E 3572/4885LMNA 4392/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KDM4E 3572/4885LMNA 4392/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KDM4E 3572/4885LMNA 4392/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 3872/4885KDM4E 3714/4885LMNA 4275/4885

“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.