SCHEMBL13689270

SCHEMBL13689270

CC(C)C(=O)c1ccc2nsnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.50
RAB9A P51151 12/20 0.50
MAPT P10636 9/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
DBH P09172 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
CASP3 P42574 1/20 0.48
BLM P54132 1/20 0.48
CASP6 P55212 1/20 0.48
ATM Q13315 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL13692376 0.79 KDM4E (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL257289 0.77 NPC1 (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20364681 0.76 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3275920 0.76 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1020666 0.76 NPC1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12188696 0.75 MEN1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1681173 0.75 MAPT (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL15069589 0.75 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13689278 0.75 GAA (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL16235101 0.75 NPC1 (0.53) NPC1RAB9AMAPTMEN1KMT2A

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-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 US 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-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 NPC1 3347/4885RAB9A 1350/4885MAPT 812/4885

“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.