SCHEMBL4581604

SCHEMBL4581604

O=C1c2ccccc2C(=O)N1C/C=C/CBr

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.51
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ GLS O94925 1/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALDH3A1 P30838 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41

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
SCHEMBL30423183 1.00 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL29443002 1.00 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL4581609 1.00 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL8950475 0.90 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL4468251 0.90 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL4476083 0.90 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL8668395 0.86 CASP3 (0.41) CASP3CA12CA9GLSDRD3
SCHEMBL8668397 0.86 CASP3 (0.41) CASP3CA12CA9GLSDRD3
SCHEMBL7525034 0.85 CASP3 (0.49) CASP3CA12CA9GLSDRD3
SCHEMBL21901972 0.82 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 — — US disclosed
US-12570610-B2 Macromolecule-supported aminobenzazepine compounds BOLT BIOTHERAPEUTICS, INC. (US) 2026-03-10 — — US disclosed
US-20250263392-A1 AMINOBENZAZEPINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2025-08-21 — — US disclosed
EP-4463450-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS Bisichem Co., Ltd. (KR) 2024-11-20 — — EP disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 — — US disclosed
US-20240294876-A1 METHODS FOR THE EXPANSION OF HUMAN GRANULOCYTE-MACROPHAGE PROGENITORS AND APPLICATIONS THEREOF UNIV SOUTHERN CALIFORNIA (US) 2024-09-05 — — US disclosed
WO-2024137619-A1 ANTI-CLAUDIN, BIS-BENZIMID AZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
EP-4341386-A2 METHODS FOR THE EXPANSION OF HUMAN GRANULOCYTEMACROPHAGE PROGENITORS AND APPLICATIONS THEREOF University of Southern California (US) 2024-03-27 — — EP disclosed
CN-117751182-A Method for amplifying human granulocyte-macrophage progenitor cells and application thereof 南加利福尼亚大学 2024-03-22 — — CN disclosed
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE INCYTE CORPORATION 2023-12-14 — — US disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 — — WO disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 — — WO disclosed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 — — WO disclosed
EP-0472181-A2 5-Amine substituted adenosine analogs as immunosuppressants MERRELL PHARMACEUTICALS INC. (US) 1992-02-26 — — EP disclosed
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 — — EP disclosed
EP-0358536-A2 Novel S-adenosyl methionine decarboxylase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-03-14 — — EP disclosed
EP-0351475-A1 S-Adenosylmethionine decarboxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-24 — — EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 — — US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 — — EP disclosed
EP-0178503-A1 Butenyl derivatives, process for their preparation and medicines containing them LUDWIG HEUMANN & CO GMBH (DE) 1986-04-23 — — EP 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-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 CASP3 2722/4885CA12 3520/4885CA9 3149/4885
US-20250263392-A1 AMINOBENZAZEPINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF IDO2, IDO1, BCR CASP3 848/4885CA12 453/4885CA9 968/4885
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE STING1, PDCD1LG2, CD274 CASP3 2004/4885CA12 3397/4885CA9 3359/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 CASP3 2144/4885CA12 2293/4885CA9 3659/4885
US-12570610-B2 Macromolecule-supported aminobenzazepine compounds BCL6, CLTB, MET CASP3 2019/4885CA12 684/4885CA9 1773/4885

“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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