Sugi Predict

Sugi Predict / Compounds / SCHEMBL5871324

SCHEMBL5871324

SCHEMBL5871324

OCCc1ccc2ncsc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ HKDC1 Q2TB90 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ DYRK1A Q13627 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL360535 0.90 NPC1 (0.46) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL27174608 0.86 ALDH1A1 (0.42) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL506620 0.85 NPC1 (0.51) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL5539650 0.82 NPC1 (0.45) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL14944865 0.82 DYRK1A (0.46) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL5871480 0.82 NPC1 (0.45) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL14532294 0.82 NPC1 (0.48) NPC1RAB9AKDM4ETDP1HKDC1
Hydrochloric Acid SCHEMBL20562963 0.81 DYRK1A (0.45) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL418265 0.80 KDM4E (0.55) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL506591 0.79 NPC1 (0.49) NPC1RAB9AKDM4ETDP1HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole APOAPSIS HOLDINGS, LLC (US) 2026-03-10 — — US disclosed
EP-4583865-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Mydecine Innovations Group Inc. (US) 2025-07-16 — — EP disclosed
US-20240400526-A9 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE MYDECINE INNOVATIONS GROUP INC (US) 2024-12-05 — — US disclosed
US-20240092747-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Altrartis Therapeutics Inc. 2024-03-21 — — US disclosed
WO-2024054279-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE MYDECINE INNOVATIONS GROUP INC. (US) 2024-03-14 — — WO disclosed
EP-3421547-A1 COLORING COMPOSITION, INKJET RECORDING INK, INKJET RECORDING METHOD, AND INKJET PRINTER CARTRIDGE FUJIFILM Corporation (JP) 2019-01-02 — — EP disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 — — US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 — — CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 — — EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 — — US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 — — US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 — — US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 — — CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 — — EP disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 — — EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 — — US disclosed
CN-1110685-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1995-10-25 — — CN disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 — — US disclosed
CN-1053613-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1991-08-07 — — CN disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 — — 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 (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-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole SLC6A3, SLC6A2, HTR2C NPC1 568/4885RAB9A 2541/4885KDM4E 2023/4885
US-20020019531-A1 Indoles INMT, MUSK, MB NPC1 4695/4885RAB9A 2208/4885KDM4E 927/4885
US-20240400526-A9 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE HTR3B, HTR3C, HTR3E NPC1 2842/4885RAB9A 4052/4885KDM4E 173/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 NPC1 4599/4885RAB9A 1773/4885KDM4E 1127/4885
US-20240092747-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE HTR3B, HTR3C, HTR3E NPC1 2842/4885RAB9A 4052/4885KDM4E 173/4885

“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.