SCHEMBL3080187

SCHEMBL3080187

C(=NOCc1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
GAA P10253 1/20 0.70
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
NAMPT P43490 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
ACHE P22303 1/20 0.47
G6PC1 P35575 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43
PLA2G7 Q13093 1/20 0.43

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
SCHEMBL10798007 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL3080186 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL5747589 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL5746903 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL5958239 0.87 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL5958238 0.87 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL8109795 0.86 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL28114466 0.86 KMT2A (0.60) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL8109792 0.86 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL8625841 0.83 GAA (0.88) NPC1RAB9ASMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
CN-102471366-B 17-hydroxy-17-pentafluoroethylestra-4, 9(10) -diene 11-benzylidene derivatives, process for preparing them and their use for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 CN disclosed
CN-103102284-A Preparation of 4-trifluoromethyl-2, 6-dinitrobenzene salicylaldoxime derivative and its application in anticancer therapeutic drugs NANJING UNIVERSITY OF TECHNOLOGY 2013-05-15 CN disclosed
US-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US disclosed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO disclosed
EP-1680421-A2 USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS Sanofi-Aventis (FR) 2006-07-19 EP disclosed
EP-1680400-A2 DERIVATIVES OF N-[ PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[ (AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-07-19 EP disclosed
WO-2005037785-A2 DERIVATIVES OF N-[PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[(AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-28 WO disclosed
WO-2005037783-A2 USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS SANOFI-AVENTIS (FR) 2005-04-28 WO disclosed
US-6313290-B1 Azolobenzazepine derivatives and compositions and method of use thereof ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6124281-A TREATING STROKES ZENECA LIMITED (GB) 2000-09-26 US disclosed
EP-0888350-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1999-01-07 EP disclosed
WO-1997032883-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1997-09-12 WO disclosed
US-4696964-A HEAT RESISTANCE, OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1987-09-29 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-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES HPD, TRHDE, BPHL NPC1 3753/4885RAB9A 3285/4885SMN1; SMN2 3885/4885
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 NPC1 4103/4885RAB9A 1833/4885SMN1; SMN2 2900/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 NPC1 4134/4885RAB9A 1800/4885SMN1; SMN2 2937/4885

“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.