SCHEMBL2196156

SCHEMBL2196156

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGB1 P05556 5/20 0.46
ITGA4 P13612 5/20 0.46
SMO Q99835 1/20 0.46
PABPC1 P11940 1/20 0.44

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
SCHEMBL2198719 0.97 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL2194705 0.96 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL2190466 0.96 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL2196604 0.91 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL2193840 0.88 HSD17B10 (0.53) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL2195941 0.88 HSD17B10 (0.53) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL2193419 0.87 NPSR1 (0.47) ALDH1A1KDM4ELMNAMEN1MAPK1
SCHEMBL2192120 0.87 ALDH1A1 (0.47) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL14827631 0.86 KDM4E (0.65) ALDH1A1KDM4ELMNAHSD17B10MEN1
SCHEMBL12491629 0.86 KDM4E (0.65) ALDH1A1KDM4ELMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HCRTR1 4731/4885HCRTR2 4822/4885ALDH1A1 3778/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HCRTR1 4731/4885HCRTR2 4822/4885ALDH1A1 3778/4885

“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.