SCHEMBL10097675

SCHEMBL10097675

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIK2 Q13002 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
GRIK1 P39086 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL12950083 0.91 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10251064 0.90 MTNR1B (0.48) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL13151831 0.90 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10251574 0.90 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10097783 0.89 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10097557 0.88 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL10097701 0.88 RAB9A (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL13152760 0.87 RAB9A (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10249774 0.87 RAB9A (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL13152315 0.87 NPC1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 2 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
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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SMN1; SMN2 4565/4885NPC1 514/4885RAB9A 2969/4885

“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.