SCHEMBL10097465

SCHEMBL10097465

CCOc1ccc2c(N)c(-c3ccc(NC(=O)NC4CCCC4)cc3)n(CC3CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
EPHX1 P07099 3/20 0.44
EPHX2 P34913 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 3/20 0.43
AURKB Q96GD4 3/20 0.43
KDR P35968 1/20 0.43
PKM P14618 2/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL10097620 0.89 ALDH1A1 (0.43) RAB9ANPC1TAS1R3TAS1R1MAPT
SCHEMBL13151982 0.89 KDR (0.43) RAB9ANPC1TAS1R3TAS1R1MAPT
SCHEMBL10096476 0.88 NPC1 (0.53) RAB9ANPC1TAS1R3TAS1R1EPHX1
SCHEMBL10249498 0.88 EPHX1 (0.42) RAB9ANPC1EPHX1EPHX2SMN1; SMN2
SCHEMBL13152447 0.87 HPGD (0.45) RAB9ANPC1MAPTLMNAKDR
SCHEMBL13151977 0.87 RAB9A (0.58) RAB9ANPC1TAS1R3TAS1R1EPHX1
SCHEMBL13152378 0.86 MEN1 (0.43) RAB9ANPC1TAS1R3TAS1R1MAPT
SCHEMBL13151980 0.86 TP53 (0.41) RAB9ANPC1TAS1R3TAS1R1MAPT
SCHEMBL12950131 0.86 RAB9A (0.57) RAB9ANPC1TAS1R3TAS1R1EPHX1
SCHEMBL13151807 0.86 TP53 (0.47) RAB9ANPC1MAPTLMNATP53

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 6 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS RAB9A 2829/4885NPC1 87/4885TAS1R3 3417/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP RAB9A 2969/4885NPC1 514/4885TAS1R3 4471/4885

“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.