SCHEMBL4054163

SCHEMBL4054163

CSc1ccc2ncsc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HKDC1 Q2TB90 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ DYRK1A Q13627 4/20 0.45
▸ TGFBR1 P36897 2/20 0.39
▸ BMPR1A P36894 1/20 0.39
▸ SMAD2 Q15796 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APP P05067 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL4054023 0.85 ALDH1A1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10384497 0.81 NPC1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10384499 0.81 NPC1 (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10384501 0.80 RAB9A (0.44) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL25488551 0.79 DYRK1A (0.34) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL9016292 0.78 TAS1R3 (0.43) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL11706963 0.76 ALDH1A1 (0.43) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL21778995 0.74 NPC1 (0.41) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10385317 0.74 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL4641057 0.74 TYMS (0.43) KDM4EALDH1A1HSD17B10DYRK1ACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584748-B2 Spirocyclic compounds C4 THERAPEUTICS, INC. (US) 2023-02-21 — — US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 — — US disclosed
US-20210032245-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2021-02-04 — — US disclosed
WO-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 — — WO disclosed
EP-3524244-A1 BENZOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS Icahn School of Medicine at Mount Sinai (US) 2019-08-14 — — EP disclosed
US-7598026-B2 Image forming method using a silver halide color photographic light-sensitive material, and silver halide color photographic light-sensitive material FUJIFILM CORPORATION (JP) 2009-10-06 — — US disclosed
CN-101124516-A Pattern forming material, pattern forming apparatus, and pattern forming method FUJI FILM CORP (JP) 2008-02-13 — — CN disclosed
US-20070172777-A1 Image forming method using a silver halide color photographic light-sensitive material, and silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. 2007-07-26 — — US disclosed
US-20050170299-A1 Image forming method using a silver halide color photographic light-sensitive material, and silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. 2005-08-04 — — US disclosed
US-6916601-B2 Image-forming method using a silver halide color photographic light-sensitive material, and silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2005-07-12 — — US disclosed
EP-0222970-A1 Sulphoalkylation process Agfa-Gevaert AG (DE) 1987-05-27 — — EP disclosed
US-4539408-A Process for the preparation of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-09-03 — — US disclosed
US-4504668-A Process for the preparation of N-sulfoalkyl quaternary salts of nitrogen heterocyclics AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-03-12 — — US disclosed
EP-0064667-B1 PROCESS FOR THE PREPARATION OF SULFOALKYL QUATERNARY SALTS Agfa-Gevaert AG (DE) 1984-11-28 — — EP disclosed
EP-0055428-B1 BIS-(3-SULFOPROPYL)ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALKYLATING AGENTS FOR ORGANIC BASES Agfa-Gevaert AG (DE) 1984-03-14 — — EP disclosed
EP-0034279-B1 SULFOALKYLATING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE MANUFACTURE OF QUANTERNARY SULFOALKYL SALTS Agfa-Gevaert AG (DE) 1983-06-22 — — EP disclosed
EP-0064667-A1 Process for the preparation of sulfoalkyl quaternary salts Agfa-Gevaert AG (DE) 1982-11-17 — — EP disclosed
EP-0055428-A1 Bis-(3-sulfopropyl)ethers, process for their preparation and their use as alkylating agents for organic bases Agfa-Gevaert AG (DE) 1982-07-07 — — EP disclosed
US-4308390-A Process for the production of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1981-12-29 — — US disclosed
EP-0034279-A2 Sulfoalkylating agents, process for their preparation and their use in the manufacture of quanternary sulfoalkyl salts Agfa-Gevaert AG (DE) 1981-08-26 — — EP 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-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 NPC1 4008/4885RAB9A 2816/4885KDM4E 4200/4885
US-20210032245-A1 SPIROCYCLIC COMPOUNDS CRBN, RBX1, XIAP NPC1 2125/4885RAB9A 3313/4885KDM4E 1861/4885
US-11584748-B2 Spirocyclic compounds CRBN, RBX1, XIAP NPC1 2125/4885RAB9A 3313/4885KDM4E 1861/4885

“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.

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