SCHEMBL708998

SCHEMBL708998

c1csc(-c2cnc3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 5/20 1.00
HSD17B10 Q99714 4/20 1.00
HPGD P15428 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
GAA P10253 1/20 1.00
CASP1 P29466 1/20 1.00
MAPK10 P53779 1/20 1.00
CASP7 P55210 1/20 1.00
PDGFRB P09619 2/20 0.52
KIT P10721 1/20 0.52
FLT3 P36888 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
BCHE P06276 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
SCHEMBL31393433 1.00 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL19066630 0.98 NPC1 (0.96) NPC1RAB9AKDM4EALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28220789 0.96 NPC1 (0.93) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL8503319 0.83 KDM4E (0.71) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL28450107 0.80 NPC1 (0.67) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL29191420 0.80 KDM4E (0.67) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL27843776 0.79 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL16438246 0.78 KDM4E (0.71) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL29942654 0.77 NPC1 (0.63) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL29966674 0.77 NPC1 (0.63) NPC1RAB9AKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397642-A1 DNA TARGETED MONO AND HETERODINUCLEAR COMPLEXES Atilim Universitesi (TR) 2018-11-07 EP claimed
CN-107353301-A A kind of boron azepine aromatic compound and its synthetic method and application 天津理工大学 2017-11-17 CN claimed
WO-2017116356-A1 DNA TARGETED MONO AND HETERODINUCLEAR COMPLEXES ATILIM UNIVERSITESI (TR) 2017-07-06 WO claimed
CN-102295752-A Dithiophene silole-thiophene-quinoxaline conjugate polymer and preparation method as well as application thereof 2011-12-28 CN claimed
US-20090274967-A1 QUINOXALINE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-11-05 US claimed
EP-1542294-B1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain SAMSUNG ELECTRONICS CO LTD (KR) 2007-04-11 EP claimed
US-7030409-B2 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-04-18 US claimed
EP-1542294-A1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain Samsung Electronics Co., Ltd. (KR) 2005-06-15 EP claimed
US-20050121668-A1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain SAMSUNG ELECTRONICS CO., LTD. (KR) 2005-06-09 US claimed
US-20260148808-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING MERCK PATENT GMBH (DE) 2026-05-28 US disclosed
EP-4605941-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING Merck Patent GmbH (DE) 2025-08-27 EP disclosed
WO-2024083704-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING MERCK PATENT GMBH (DE) 2024-04-25 WO disclosed
WO-2024083704-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING MERCK PATENT GMBH (DE) 2024-04-25 WO disclosed
CN-117658930-A Asymmetric hydrogenation synthesis method of tetrahydroquinoxaline derivative 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-03-08 CN disclosed
EP-1542294-A1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain Samsung Electronics Co., Ltd. (KR) 2005-06-15 EP disclosed
EP-1542294-A1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain Samsung Electronics Co., Ltd. (KR) 2005-06-15 EP disclosed
US-20050121668-A1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain SAMSUNG ELECTRONICS CO., LTD. (KR) 2005-06-09 US disclosed
US-20050121668-A1 Organic semiconductor polymer for organic thin film transistor containing quinoxaline ring in the backbone chain SAMSUNG ELECTRONICS CO., LTD. (KR) 2005-06-09 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 US disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885KDM4E 4415/4885
US-20260148808-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING KIT, ALK, ACHE NPC1 4212/4885RAB9A 1907/4885KDM4E 308/4885

“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.