SCHEMBL10239190

SCHEMBL10239190

CC(=O)NC(C)c1nc2ccc(C)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ACACB O00763 2/20 0.40
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
HDAC4 P56524 1/20 0.40
AGPAT2 O15120 1/20 0.40

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
SCHEMBL10239352 0.89 NPC1 (0.50) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL1390812 0.86 PPARD (0.44) NPC1RAB9AMAPTTP53LMNA
SCHEMBL10239413 0.85 MAPT (0.48) NPC1RAB9AMAPTTP53LMNA
SCHEMBL1390894 0.83 MAPT (0.46) MAPTTP53LMNAPOLBACACB
SCHEMBL1390797 0.83 NPC1 (0.52) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL1391568 0.82 MAPT (0.48) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8821966 0.79 KDM4E (0.38) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8821967 0.79 KDM4E (0.38) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL9757149 0.78 MAPT (0.47) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL1390605 0.78 NPC1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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 3698/4885MAPT 3578/4885

“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.