SCHEMBL541208

SCHEMBL541208

O=C(CBr)c1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 1.00
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 6/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ATM Q13315 1/20 0.49
MAOB P27338 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
PTPN1 P18031 2/20 0.48
PLOD2 O00469 1/20 0.48
PLOD3 O60568 1/20 0.48

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
SCHEMBL627822 0.86 GSK3B (0.75) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL5063533 0.84 GSK3B (0.73) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL2970722 0.84 GSK3B (0.73) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL15567860 0.83 GSK3B (0.70) GSK3BALDH1A1HPGDKDM4EHSD17B10
SCHEMBL50003 0.83 GSK3B (0.71) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL7025664 0.83 GSK3B (0.71) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL19642588 0.82 GSK3B (0.69) GSK3BALDH1A1HPGDKDM4EALOX15
Hydrochloric Acid SCHEMBL6538348 0.81 GSK3B (0.69) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL14123719 0.81 GSK3B (0.69) GSK3BALDH1A1KDM4EHSD17B10MAOB
SCHEMBL655256 0.81 GSK3B (0.69) GSK3BALDH1A1KDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2025-08-14 US disclosed
EP-4139286-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed
EP-4508038-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO The United States Government as represented by the Department of Veterans Affairs (US) 2025-02-19 EP disclosed
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-04-23 US disclosed
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
WO-2023201374-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2023-10-19 WO disclosed
WO-2023201374-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2023-10-19 WO disclosed
US-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 WO disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed
EP-1075475-B1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 EP disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
US-20020132809-A1 Heterocyclic carboxamide derivatives as inhibitors of nitric oxide production FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-09-19 US disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
EP-1196407-A1 N-IMIDAZOLYLMETHYL CARBOXAMIDES AS NITRIC OXIDE PRODUCTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
EP-1075475-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-14 EP disclosed
WO-2001002387-A1 N-IMIDAZOLYLMETHYL CARBOXAMIDES AS NITRIC OXIDE PRODUCTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-11 WO disclosed
WO-1999057114-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-11 WO 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 (6 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-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG GSK3B 890/4885ALDH1A1 3985/4885HPGD 2344/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 GSK3B 1797/4885ALDH1A1 1009/4885HPGD 789/4885
US-20020132809-A1 Heterocyclic carboxamide derivatives as inhibitors of nitric oxide production NOS1, NOS3, NOS2 GSK3B 1016/4885ALDH1A1 2145/4885HPGD 443/4885
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO PELI1, MALT1, MCTS1 GSK3B 3192/4885ALDH1A1 3322/4885HPGD 4356/4885
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation DGKZ, DGKA, DGKG GSK3B 890/4885ALDH1A1 3985/4885HPGD 2344/4885
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 GSK3B 906/4885ALDH1A1 1404/4885HPGD 3115/4885

“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.