SCHEMBL10097284

SCHEMBL10097284

CCn1c(-c2ccc(NC(=O)Nc3ccc(-c4c(N)c5ccc(OC)cc5n4CC)cc3)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRIK2 Q13002 3/20 0.46
GRIK1 P39086 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NTRK1 P04629 3/20 0.44
NTRK2 Q16620 3/20 0.44
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
MAPT P10636 2/20 0.43
MTNR1B P49286 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
SCHEMBL10251045 0.93 MEN1 (0.53) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL10097337 0.93 MTNR1B (0.48) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL13152594 0.92 MEN1 (0.47) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL13152579 0.91 PFKFB2 (0.44) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL10097325 0.90 PFKFB2 (0.48) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL10256116 0.90 MTNR1B (0.52) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL10256105 0.90 MAPT (0.43) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL10251064 0.89 MTNR1B (0.48) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL13152850 0.89 NPC1 (0.44) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL10252494 0.88 MEN1 (0.41) NPC1RAB9AMEN1KMT2AGRIK2

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 297/4885RAB9A 3975/4885MEN1 4815/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP NPC1 514/4885RAB9A 2969/4885MEN1 4860/4885

“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.