SCHEMBL233589

SCHEMBL233589

CCOc1ccc2nc(N)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 1.00
TP53 P04637 4/20 1.00
HSD17B10 Q99714 4/20 1.00
ALDH1A1 P00352 3/20 1.00
TSHR P16473 1/20 1.00
CYP1A2 P05177 3/20 0.69
CYP2C19 P33261 2/20 0.69
KMT2A Q03164 4/20 0.68
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
PKM P14618 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA3 P07451 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63

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
SCHEMBL8129225 0.92 CYP3A4 (0.84) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL5946843 0.88 CYP3A4 (0.78) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL9722752 0.88 CYP3A4 (0.78) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL31257148 0.87 CYP3A4 (0.77) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL482497 0.87 CYP3A4 (0.77) CYP3A4TP53HSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11613963 0.86 CYP3A4 (0.76) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL7217112 0.86 CYP3A4 (0.74) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL11344342 0.84 CYP3A4 (0.72) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL16240828 0.84 CYP3A4 (0.72) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL6811786 0.84 CYP3A4 (0.72) 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 373 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN claimed
US-11655225-B2 Antimycobacterial heterocyclic amides CRESTONE, INC. (US) 2023-05-23 US claimed
CN-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 CN claimed
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides CRESTONE, INC. 2021-01-07 US claimed
EP-3758697-A1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES Crestone, Inc. (US) 2021-01-06 EP claimed
WO-2012176202-A1 ARTICLES AND METHODS FOR MONITORING URINARY TRACT INFECTION COMMON SENSE LTD. (IL) 2012-12-27 WO claimed
US-20100075871-A1 Stabilized aqueous polymer compositions and their use TOUGAS HOLDING GMBH (DE) 2010-03-25 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 EP claimed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US claimed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 EP claimed
US-4013715-A PROCESS FOR THE MANUFACTURE OF 2-HALO-ETHANE-PHOSPHONIC ACID DIHALIDES AND VINYL-PHOSPHONIC ACID DIHALIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 US claimed
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INST NAT SANTE RECH MED (FR) 2025-12-18 US disclosed
US-3932377-A Hydrosoluble monoazoic cationic dyes and process for preparing same MONTECATINI EDISON S.P.A. (IT) 1976-01-13 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 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 (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-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS BBOX1, NDUFB6, NDUFB5 CYP3A4 343/4885TP53 1893/4885HSD17B10 227/4885
US-11655225-B2 Antimycobacterial heterocyclic amides AADAC, CPS1, NAT1 CYP3A4 650/4885TP53 3880/4885HSD17B10 1270/4885
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 CYP3A4 27/4885TP53 3499/4885HSD17B10 1076/4885
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides AADAC, CPS1, ACAT1 CYP3A4 743/4885TP53 4250/4885HSD17B10 1338/4885

“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.