SCHEMBL1622734

SCHEMBL1622734

CONc1nc(N)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.59
RAB9A P51151 10/20 0.59
PKM P14618 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
LMNA P02545 1/20 0.59
TAAR1 Q96RJ0 4/20 0.58
TP53 P04637 2/20 0.58
ALOX15 P16050 2/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
APP P05067 6/20 0.57
KMT2A Q03164 8/20 0.56
MEN1 O00255 6/20 0.56
POLB P06746 2/20 0.56
DCPS Q96C86 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL6978694 0.80 NPC1 (0.64) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL20149731 0.79 NPC1 (0.73) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL1622653 0.78 NPC1 (0.66) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL1621954 0.77 NPC1 (0.64) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL24038282 0.76 NPC1 (0.97) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL22080077 0.75 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL20149734 0.75 NPC1 (0.66) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL29357942 0.75 NPC1 (0.96) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL4486503 0.75 NPC1 (0.96) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL1621897 0.74 NPC1 (0.53) NPC1RAB9APKMSMN1; SMN2NFKB1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 US disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 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 (3 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-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 NPC1 3785/4885RAB9A 3534/4885PKM 4557/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 NPC1 1676/4885RAB9A 1698/4885PKM 738/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 NPC1 3785/4885RAB9A 3534/4885PKM 4557/4885

“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.