SCHEMBL713067

SCHEMBL713067

[c]1ccc(-c2cnc3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
BCHE P06276 1/20 0.62
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TLR9 Q9NR96 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
MAPK10 P53779 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Water SCHEMBL5134592 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2BCHEKDM4E
Water SCHEMBL27478798 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL4954320 0.86 NPC1 (0.81) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29371290 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL87505 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL1450354 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL5885621 0.80 TLR9 (0.53) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL24596471 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL708285 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL18806858 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2BCHEKDM4E

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
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO disclosed
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
CN-108541713-A A kind of compound thiophene composition for bacterial blight of rice prevention 李英妙 2018-09-18 CN disclosed
CN-108450474-A A kind of bacterial blight of rice prevention composition 蔡志浩 2018-08-28 CN disclosed
CN-108402051-A A kind of compound plant bactericide of prevention bacterial blight of rice 蔡志浩 2018-08-17 CN disclosed
CN-108353914-A A kind of rice disease protective agents 蔡志浩 2018-08-03 CN disclosed
CN-108244116-A A kind of compound bactericidal composition for control of plant disease 蔡志浩 2018-07-06 CN disclosed
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-08-31 US disclosed
US-9620723-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-04-11 US disclosed
EP-2321862-B1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2014-11-19 EP disclosed
CN-102144313-B Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2014-07-30 CN disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-09 US disclosed
US-8343639-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-01 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US disclosed
CN-102144313-A Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2011-08-03 CN disclosed
EP-2321862-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME Semiconductor Energy Laboratory Co, Ltd. (JP) 2011-05-18 EP disclosed
WO-2010027004-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-11 WO disclosed
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-11 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 (5 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-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A NPC1 4299/4885RAB9A 3158/4885SMN1; SMN2 3015/4885
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A NPC1 4299/4885RAB9A 3158/4885SMN1; SMN2 3015/4885
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A NPC1 4299/4885RAB9A 3158/4885SMN1; SMN2 3015/4885
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 NPC1 2154/4885RAB9A 440/4885SMN1; SMN2 4102/4885
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A NPC1 4299/4885RAB9A 3158/4885SMN1; SMN2 3015/4885

“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.