SCHEMBL21820231

SCHEMBL21820231

Cn1c(=O)cc(CO)c2ccc(F)c(Br)c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ THRB P10828 1/20 0.34
▸ CYP19A1 P11511 4/20 0.33
▸ NQO2 P16083 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ BRD4 O60885 5/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL20582475 0.86 CYP19A1 (0.33) THRBCYP19A1NQO2BRD4HTT
SCHEMBL21820278 0.83 HSD17B3 (0.38) MAPTTHRBCYP19A1NQO2SMN1; SMN2
SCHEMBL21820274 0.79 NQO2 (0.51) CYP19A1NQO2HSD17B10
SCHEMBL30236737 0.78 RXFP1 (0.39) MAPTSMN1; SMN2
SCHEMBL21820211 0.78 RXFP1 (0.39) MAPTSMN1; SMN2
SCHEMBL21820310 0.77 EPRS1 (0.39) MAPTCYP19A1NQO2BRD4HTT
SCHEMBL25015193 0.75 MPO (0.33) MAPTTHRBPOLBBRD4AKT1
SCHEMBL21820206 0.74 PKM (0.45) MAPTHTTSMN1; SMN2HSD17B10
SCHEMBL17509875 0.72 BRD4 (0.37) MAPTTHRBNQO2POLBBRD4
SCHEMBL18056961 0.72 EGLN1 (0.44) MAPTTHRBNQO2BRD4MCL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527093-B Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2023-06-09 — — CN disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 — — EP disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 — — EP disclosed
CN-110382505-B Heterocyclic compounds useful as antibacterial agents and process for producing the same 巴格沃克斯研究有限公司 2023-04-04 — — CN disclosed
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 — — EP disclosed
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 — — EP disclosed
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis Bugworks Research, Inc. (US) 2022-08-02 — — US disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 — — US disclosed
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof Bugworks Research, Inc. (US) 2021-02-09 — — US disclosed
CN-111527093-A Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2020-08-11 — — CN disclosed
US-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF Bugworks Research, Inc. 2020-03-19 — — 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-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF UROD, ALPI, HLA-A MAPT 13/4885THRB 2551/4885CYP19A1 1736/4885
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN MAPT 6/4885THRB 1234/4885CYP19A1 1627/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN MAPT 6/4885THRB 1234/4885CYP19A1 1627/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A MAPT 13/4885THRB 2551/4885CYP19A1 1736/4885

“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.

Send feedback