SCHEMBL10249774

SCHEMBL10249774

CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
GRIK2 Q13002 3/20 0.40
GRIK1 P39086 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNQ2 O43526 1/20 0.39
MTNR1B P49286 3/20 0.39
MAPT P10636 5/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
DYRK1A Q13627 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL10251064 0.90 MTNR1B (0.48) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL13152537 0.90 MTNR1B (0.41) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL10097783 0.89 SMN1; SMN2 (0.44) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL10097701 0.88 RAB9A (0.45) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL10097675 0.87 SMN1; SMN2 (0.45) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL13152315 0.87 NPC1 (0.42) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL10256010 0.87 RAB9A (0.44) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL10095543 0.86 GRIK2 (0.41) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL10097284 0.86 NPC1 (0.47) RAB9AMEN1NPC1KMT2AGRIK2
SCHEMBL13152763 0.86 RAB9A (0.41) RAB9AMEN1NPC1KMT2AGRIK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS RAB9A 3975/4885MEN1 4815/4885NPC1 297/4885

“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.