SCHEMBL2197393

SCHEMBL2197393

CCc1ccccc1C(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)c4ccccc4CC)cc3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMO Q99835 1/20 0.45
POLB P06746 2/20 0.39
VHL P40337 4/20 0.39
S1PR1 P21453 2/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL2198061 0.87 SMO (0.41) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2195946 0.86 MEN1 (0.50) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2191999 0.81 KDM4E (0.48) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2193497 0.81 ALDH1A1 (0.43) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2196826 0.81 KMT2A (0.45) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2193243 0.79 KMT2A (0.42) KMT2ANPC1GAARAB9AMEN1
SCHEMBL13570437 0.79 ALDH1A1 (0.41) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2194228 0.79 MEN1 (0.43) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2194034 0.79 KDM4E (0.44) KMT2ANPC1GAARAB9AMEN1
SCHEMBL2194770 0.78 MEN1 (0.43) KMT2ANPC1GAARAB9AMEN1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 3866/4885NPC1 218/4885GAA 777/4885

“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.