SCHEMBL13379481

SCHEMBL13379481

CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
MDM2 Q00987 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
POLB P06746 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
SCHEMBL18901985 0.93 NPC1 (0.51) NPC1LMNAKDM4EMEN1KMT2A
SCHEMBL14723747 0.92 NPC1 (0.54) NPC1LMNAKDM4EMEN1KMT2A
SCHEMBL31188287 0.84 NPC1 (0.57) NPC1LMNAKDM4EMEN1KMT2A
SCHEMBL27420162 0.82 KMT2A (0.47) NPC1LMNAMEN1KMT2AALDH1A1
SCHEMBL30877536 0.82 KMT2A (0.47) NPC1LMNAMEN1KMT2AALDH1A1
SCHEMBL13379386 0.81 NPC1 (0.76) NPC1LMNAKDM4EMEN1KMT2A
SCHEMBL13379525 0.80 KDM4E (0.44) NPC1LMNAKDM4EPABPC1ALDH1A1
SCHEMBL26140160 0.80 KDM4E (0.54) NPC1LMNAKDM4EPABPC1ALDH1A1
SCHEMBL13230394 0.80 KDM4E (0.71) NPC1LMNAKDM4EMEN1KMT2A
SCHEMBL4229005 0.79 KMT2A (0.55) NPC1LMNAKDM4EMEN1KMT2A

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-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (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-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885LMNA 3159/4885KDM4E 3857/4885

“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.