SCHEMBL4743689

SCHEMBL4743689

S=C1CNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HK1 P19367 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL7255005 0.77 BRD4 (0.44) ALDH1A1KDM4ENOS2RXFP1ALOX15
SCHEMBL30118299 0.75 NOS2 (0.43) ALDH1A1KDM4ENOS2RXFP1ALOX15
SCHEMBL8800787 0.72 HSD17B10 (0.44) ALDH1A1KDM4ERXFP1ALOX15HSD17B10
Dihydrophenanthridine SCHEMBL2087461 0.71 CA12 (0.56) KDM4ENOS2ALOX15HSD17B10JAK2
Dihydrophenanthridine SCHEMBL29791568 0.71 CA12 (0.56) KDM4ENOS2ALOX15HSD17B10JAK2
SCHEMBL68595 0.71 CA12 (0.45) ALDH1A1KDM4ENOS2ALOX15HSD17B10
SCHEMBL2776950 0.71 NOS2 (0.41) ALDH1A1KDM4ENOS2RXFP1ALOX15
SCHEMBL30555345 0.71 NOS2 (0.41) ALDH1A1KDM4ENOS2RXFP1ALOX15
SCHEMBL1130729 0.71 NOS2 (0.41) ALDH1A1KDM4ENOS2RXFP1ALOX15
Hydrochloric Acid SCHEMBL10863156 0.70 CA12 (0.43) ALDH1A1KDM4ENOS2ALOX15HSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119841836-B 5H- [1,2,4] triazinyl [5,6-b ] indole derivatives containing disulfide structure, and preparation method and application thereof 贵州大学 2026-04-07 — — CN disclosed
CN-119841836-A 5H- [1,2,4] triazinyl [5,6-b ] indole derivatives containing disulfide structure, and preparation method and application thereof 贵州大学 2025-04-18 — — CN disclosed
CN-119841836-A 5H- [1,2,4] triazinyl [5,6-b ] indole derivatives containing disulfide structure, and preparation method and application thereof 贵州大学 2025-04-18 — — CN disclosed
CN-117865878-A Chiral indoline-3-one derivative and preparation method thereof 郑州大学 2024-04-12 — — CN disclosed
US-20190241578-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME UNIV DREXEL (US) 2019-08-08 — — US disclosed
US-10287290-B2 Compositions useful in treating brain-related diseases or disorders and methods using same DREXEL UNIVERSITY (US) 2019-05-14 — — US disclosed
US-20170190709-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME UNIV DREXEL (US) 2017-07-06 — — US disclosed
US-9616065-B2 Compositions useful in treating brain-related diseases or disorders and methods using same DREXEL UNIVERSITY (US) 2017-04-11 — — US disclosed
US-20160074408-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-03-17 — — US disclosed
WO-2014172453-A2 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME PHILADELPHIA HEALTH AND EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2014-10-23 — — WO disclosed
WO-2008101824-A1 IMIDAZO[1',5':1,6] PYRIDO[3,4-B]INDOLES DERIVATIVES AND THERAPEUTICAL USE THEREOF FOURTILLAN (FR) 2008-08-28 — — WO disclosed
EP-1509501-B1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-12-20 — — EP disclosed
US-6727246-B2 ENHANCEMENT OF COGNITION AND MEMORY IN HUMAN DISEASES SUCH AS ALZHEIMER'S WYETH 2004-04-27 — — US disclosed
US-20030232828-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND-INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH 2003-12-18 — — 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-20190241578-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC6A2, SLC1A2 ALDH1A1 1315/4885KDM4E 3171/4885NOS2 812/4885
US-20170190709-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC6A2, SLC1A2 ALDH1A1 1315/4885KDM4E 3171/4885NOS2 812/4885
US-20030232828-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND-INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR3A, HTR5A ALDH1A1 633/4885KDM4E 4095/4885NOS2 1697/4885
US-10287290-B2 Compositions useful in treating brain-related diseases or disorders and methods using same SLC18A2, SLC6A2, SLC1A2 ALDH1A1 1170/4885KDM4E 2767/4885NOS2 546/4885
US-20160074408-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC18A3, SLC1A2 ALDH1A1 1380/4885KDM4E 3235/4885NOS2 673/4885

“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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