SCHEMBL9722752

SCHEMBL9722752

CCCOc1ccc2nc(N)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.78
TP53 P04637 3/20 0.78
HSD17B10 Q99714 2/20 0.78
ALDH1A1 P00352 1/20 0.78
TSHR P16473 1/20 0.78
CYP1A2 P05177 3/20 0.65
CYP2C19 P33261 1/20 0.65
LMNA P02545 4/20 0.57
CYP2D6 P10635 2/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 2/20 0.56
SCN4A P35499 2/20 0.56
HTT P42858 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
GAA P10253 1/20 0.56

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
Hydrochloric Acid SCHEMBL11613963 0.98 CYP3A4 (0.76) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL5946843 0.94 CYP3A4 (0.78) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL5047405 0.90 CYP3A4 (0.72) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL11344342 0.90 CYP3A4 (0.72) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL16240828 0.90 CYP3A4 (0.72) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL6811786 0.90 CYP3A4 (0.72) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL233589 0.88 CYP3A4 (1.00) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL17963034 0.87 CYP3A4 (0.71) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL9722836 0.85 CYP3A4 (0.68) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL1848550 0.85 CYP3A4 (0.68) CYP3A4TP53HSD17B10ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197916-C Olive green cationic dye and its preparing method SHANGHAI CITY DYESTUFF INST (CN) 2005-04-20 CN claimed
CN-1445287-A Olive green cationic dye and its preparing method SHANGHAI CITY DYESTUFF INST (CN) 2003-10-01 CN claimed
EP-3827665-B1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS CONSEJO SUPERIOR INVESTIGACION (ES) 2025-02-19 EP disclosed
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2024-02-27 US disclosed
US-20230025843-A1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2023-01-26 US disclosed
EP-3842422-B1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR INVESTIGACION (ES) 2022-09-07 EP disclosed
US-20210323936-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2021-10-21 US disclosed
EP-3842422-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES Consejo Superior de Investigaciones Cientificas (ES) 2021-06-30 EP disclosed
WO-2021105182-A1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-06-03 WO disclosed
EP-3827665-A1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-06-02 EP disclosed
WO-2020039110-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2020-02-27 WO disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed
EP-0105031-B1 CATIONIC AZO DYESTUFFS CIBA-GEIGY AG (CH) 1989-01-04 EP disclosed
EP-0105031-A2 Cationic azo dyestuffs CIBA-GEIGY AG (CH) 1984-04-04 EP disclosed
US-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4006242-A Certain benzothiazoles used in the treatment of helminthiasis SCHERING CORPORATION (US) 1977-02-01 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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-20210323936-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES LRRK2, PARK7, SNCA CYP3A4 3809/4885TP53 3008/4885HSD17B10 1864/4885
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases LRRK2, PARK7, SNCA CYP3A4 3809/4885TP53 3008/4885HSD17B10 1864/4885

“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.