SCHEMBL2196503

SCHEMBL2196503

O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CC4CC4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
KCNH2 Q12809 5/20 0.44
CHRNA7 P36544 4/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
F2 P00734 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.41
PABPC1 P11940 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
SCHEMBL2199176 0.87 HCRTR1 (0.45) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL2199180 0.87 HCRTR1 (0.45) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL13570511 0.87 HCRTR1 (0.45) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL13571874 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL2195941 0.84 HSD17B10 (0.53) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL2193840 0.84 HSD17B10 (0.53) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL2194905 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL2198393 0.83 HPGD (0.50) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL14664063 0.82 HPGD (0.49) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL13571484 0.82 HSD17B10 (0.54) ALDH1A1KMT2AHSD17B10KDM4EMEN1

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 ALDH1A1 3778/4885KMT2A 3866/4885HSD17B10 2037/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885KMT2A 3866/4885HSD17B10 2037/4885

“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.