SCHEMBL2195166

SCHEMBL2195166

CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)[C@@H]5C[C@@H](OC(C)(C)C)CN5C(=O)C5CCCCC5)cc4)o3)cc2)N(C(=O)C2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMO Q99835 1/20 0.38
PTPN1 P18031 4/20 0.38
PTPN2 P17706 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CHRNA7 P36544 4/20 0.35
KCNH2 Q12809 4/20 0.35

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
SCHEMBL2192006 0.97 KMT2A (0.39) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2193703 0.96 NPC1 (0.41) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL13572005 0.89 NPC1 (0.44) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2193209 0.88 NPC1 (0.43) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2197678 0.88 HPGD (0.43) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2198336 0.86 KMT2A (0.38) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2194770 0.85 MEN1 (0.43) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2196126 0.85 MEN1 (0.45) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14647982 0.84 NPC1 (0.42) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2194034 0.82 KDM4E (0.44) NPC1KMT2AALDH1A1RAB9ASMN1; SMN2

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 NPC1 218/4885KMT2A 3866/4885ALDH1A1 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.