SCHEMBL4406553

SCHEMBL4406553

CCC(=O)C(Br)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 3/20 0.31
TRPA1 O75762 1/20 0.31
ABCB1 P08183 1/20 0.31
FAAH O00519 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 2/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL844675 0.81 SOAT1 (0.44) CA1CA2MGAMGAASI
SCHEMBL2440432 0.79 ZDHHC7 (0.38) ZDHHC7CA1CA2SMN1; SMN2CA14
SCHEMBL14747568 0.79 ALDH1A1 (0.39) SOAT1ALDH1A1TRPA1TSHR
SCHEMBL690839 0.79 SMN1; SMN2 (0.48) ZDHHC7CA1CA2SMN1; SMN2MGAM
SCHEMBL6221021 0.79 ZDHHC7 (0.52) ZDHHC7CA1CA2ALDH1A1FAAH
SCHEMBL2202426 0.75 SMN1; SMN2 (0.40) ZDHHC7CA1CA2SMN1; SMN2MGAM
SCHEMBL8750495 0.75 SMN1; SMN2 (0.40) ZDHHC7CA1CA2SMN1; SMN2MGAM
SCHEMBL114574 0.73 SMN1; SMN2 (0.41) ZDHHC7CA1CA2SMN1; SMN2MGAM
SCHEMBL4895644 0.72
SCHEMBL9130100 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed
WO-2025021148-A1 WRN INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 贝达药业股份有限公司 2025-01-30 WO disclosed
WO-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 WO disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
CN-108348510-B Benzylamine-containing heterocyclic compounds and compositions useful against mycobacterial infections 圣母大学 2022-01-04 CN disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 US disclosed
US-20180265506-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-09-20 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
CN-104540826-A Spiro-fused piperidine derivatives useful as inhibitors of extrarenal potassium channels MERCK SHARP & DOHME 2015-04-22 CN disclosed
CN-102351852-B Benzofuran compound and preparation method and application thereof UNIV SHANGHAI JIAOTONG 2014-06-18 CN disclosed
CN-102596954-A JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL MYERS SQUIBB CO 2012-07-18 CN disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
CN-1248259-A Fused pyridazine derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-03-22 CN disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 ZDHHC7 983/4885CA1 4842/4885CA2 4753/4885
US-20180265506-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 ZDHHC7 983/4885CA1 4842/4885CA2 4753/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H ZDHHC7 268/4885CA1 4582/4885CA2 3400/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 ZDHHC7 983/4885CA1 4842/4885CA2 4753/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 ZDHHC7 983/4885CA1 4842/4885CA2 4753/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 ZDHHC7 1767/4885CA1 4832/4885CA2 3368/4885

“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.