SCHEMBL10239352

SCHEMBL10239352

CC(=O)NC(C)c1nc2cc(C)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.50
KDM4E B2RXH2 6/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AGPAT2 O15120 4/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.45
ACACB O00763 1/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
STAT1 P42224 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL10239190 0.89 NPC1 (0.45) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL1390605 0.86 NPC1 (0.49) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10239301 0.85 RAB9A (0.54) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL1390754 0.83 RAB9A (0.60) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL1390525 0.83 RAB9A (0.44) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL1390576 0.82 RAB9A (0.56) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL1390812 0.78 PPARD (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL10223594 0.77 RAB9A (0.54) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10239413 0.77 MAPT (0.48) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL11313044 0.76 KDM4E (0.48) NPC1RAB9AKDM4EMEN1KMT2A

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB NPC1 978/4885RAB9A 3698/4885KDM4E 1415/4885

“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.