SCHEMBL942676

SCHEMBL942676

O=c1[nH]ccnc1SCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
DAO P14920 1/20 0.47
KDM6B O15054 3/20 0.45
KDM4A O75164 3/20 0.45
KDM4D Q6B0I6 3/20 0.45
KDM3B Q7LBC6 3/20 0.45
HIF1AN Q9NWT6 3/20 0.45
KDM5B Q9UGL1 3/20 0.45
KDM2A Q9Y2K7 3/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL12144898 0.87 CDC7 (0.50) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL7589855 0.86 LMNA (0.53) LMNAHTTDAOKDM6BKDM4A
SCHEMBL942486 0.84 NPC1 (0.45) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12144894 0.83 DAO (0.45) RAB9ANPC1SMN1; SMN2LMNADAO
SCHEMBL12144892 0.81 DAO (0.39) RAB9ANPC1SMN1; SMN2DAOALDH1A1
SCHEMBL7876115 0.76 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL13939871 0.73 DAO (0.45) RAB9ANPC1SMN1; SMN2HTTDAO
SCHEMBL4158770 0.71 MEN1 (0.51) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL7618263 0.70 TAAR1 (0.58) SMN1; SMN2LMNAHTTDAOKDM4A
SCHEMBL13939842 0.70 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966164-B1 NOVEL SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed
US-8329704-B2 Substituted pyrazinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2012-12-11 US disclosed
US-8329704-B2 Substituted pyrazinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2012-12-11 US disclosed
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-06-16 US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2173725-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS Bristol-Myers Squibb Company (US) 2010-04-14 EP disclosed
WO-2009009501-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases BIOFOCUS DISCOVERY LTD. (GB) 2009-01-08 US disclosed
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases BIOFOCUS DISCOVERY LTD. (GB) 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
WO-2007071646-A1 NOVEL SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 WO 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-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases MCHR1, MCHR2, MC1R RAB9A 1051/4885NPC1 485/4885SMN1; SMN2 695/4885
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MC1R, MCHR2 RAB9A 979/4885NPC1 991/4885SMN1; SMN2 2327/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R RAB9A 650/4885NPC1 686/4885SMN1; SMN2 1839/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R RAB9A 650/4885NPC1 686/4885SMN1; SMN2 1839/4885

“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.