SCHEMBL6015568

SCHEMBL6015568

Nc1nc(S)nc2sc3c(c12)CCCC3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.61
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 5/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 3/20 0.55
LIMK1 P53667 3/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL6015565 0.97 ABCB1 (0.57) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6015573 0.80 ABCB1 (0.61) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11133586 0.80 ABCB1 (0.61) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11202217 0.79 ABCB1 (0.60) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11200668 0.77 ABCB1 (0.57) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6015606 0.77 ABCB1 (0.57) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL15176754 0.73 RAB9A (1.00) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11199699 0.73 ABCB1 (0.53) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11206135 0.72 PRKCI (0.54) ABCB1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL17356382 0.72 KDM4E (0.78) RAB9ASMN1; SMN2NPC1LMNAALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
US-7928111-B2 Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors SENOMYX, INC. (US) 2011-04-19 US disclosed
US-7928111-B2 Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors SENOMYX, INC. (US) 2011-04-19 US 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-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 (4 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 ABCB1 4212/4885RAB9A 3534/4885SMN1; SMN2 4716/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ABCB1 4315/4885RAB9A 3040/4885SMN1; SMN2 4713/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ABCB1 4212/4885RAB9A 3534/4885SMN1; SMN2 4716/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ABCB1 4315/4885RAB9A 3040/4885SMN1; SMN2 4713/4885

“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.