SCHEMBL1671036

SCHEMBL1671036

Fc1ccc2ncsc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ HKDC1 Q2TB90 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ DYRK1A Q13627 2/20 0.49
▸ APP P05067 1/20 0.46
▸ GFER P55789 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AXL P30530 1/20 0.46
▸ AKT1 P31749 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL28327531 0.98 NPC1 (0.53) NPC1RAB9AKDM4ETDP1HKDC1
Hydrazine SCHEMBL27557475 0.96 NPC1 (0.51) NPC1RAB9AKDM4ETDP1HKDC1
Benzene SCHEMBL27557967 0.96 NPC1 (0.53) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL6658073 0.84 DYRK1A (0.60) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL29388659 0.83 ALDH1A1 (0.50) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL4054554 0.83 ALDH1A1 (0.50) NPC1RAB9AKDM4ETDP1HKDC1
Hydrochloric Acid SCHEMBL27261649 0.79 ALDH1A1 (0.47) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL31122229 0.79 ALDH1A1 (0.43) NPC1RAB9AKDM4ETDP1MEN1
SCHEMBL31214345 0.77 DYRK1A (0.72) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL18042122 0.76 DYRK1A (0.48) 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 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024103023-A2 12-LIPOXYGENASE INHIBITORS FOR THE TREATMENT OF LUPUS VERALOX THERAPEUTICS (US) 2024-05-16 — — WO claimed
WO-2024097846-A1 ORAL PHARMACEUTICAL FORMULATIONS CONTAINING 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES VERALOX THERAPEUTICS (US) 2024-05-10 — — WO claimed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP claimed
WO-2024019959-A1 COMPOSITIONS FOR MODULATING LIPOXYGENASE AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-25 — — WO claimed
EP-3054936-B1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2023-10-18 — — EP claimed
CN-115433072-B Method for preparing aryl ketone by photocatalytic oxidation 浙江工业大学 2023-08-08 — — CN claimed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 — — US claimed
US-20230159516-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-05-25 — — US claimed
WO-2023043208-A1 NOVEL 2-AMINOBENZOTHIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR 부산대학교 산학협력단 2023-03-23 — — WO claimed
EP-4139280-A1 COMPOUNDS FOR THE TREATMENT OF SARS Purdue Research Foundation (US) 2023-03-01 — — EP claimed
CN-102781942-B Octahydro pyrrolo-[3,4-c] pyrroles is replaced as two of orexin receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-23 — — CN claimed
US-9079911-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 — — US claimed
WO-2015054662-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2015-04-16 — — WO claimed
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-26 — — US claimed
US-8653263-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA (BE) 2014-02-18 — — US claimed
CN-103333135-A Synthesis technology of benthiavalicarb isopropyl UNIV SHANGQIU NORMAL 2013-10-02 — — CN claimed
EP-2491038-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 — — EP claimed
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-16 — — US claimed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 — — WO claimed
WO-1995011890-A1 6-FLUOROBENZOTHIAZOLES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-05-04 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NPC1 1202/4885RAB9A 2680/4885KDM4E 454/4885
US-20230159516-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 NPC1 180/4885RAB9A 1275/4885KDM4E 3347/4885
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NPC1 1202/4885RAB9A 2680/4885KDM4E 454/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR NPC1 1202/4885RAB9A 2680/4885KDM4E 454/4885

“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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