SCHEMBL21820310

SCHEMBL21820310

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPRS1 P07814 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAP2K1 Q02750 2/20 0.35
▸ MAP2K2 P36507 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL21820206 0.82 PKM (0.45) ALDH1A1HTTMAP2K1MAP2K2KMT2A
SCHEMBL21820274 0.79 NQO2 (0.51) ALDH1A1KDM4EHSD17B10CYP19A1NQO2
SCHEMBL21820231 0.77 MAPT (0.35) HTTHSD17B10MAPTCYP19A1NQO2
SCHEMBL20582475 0.74 CYP19A1 (0.33) HTTCYP19A1NQO2BRD4
SCHEMBL21820278 0.72 HSD17B3 (0.38) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL3099860 0.68 BRPF1 (0.40) BRD4
SCHEMBL21820211 0.68 RXFP1 (0.39) GAAKDM4ERXFP1MAPT
SCHEMBL2921888 0.66 KDM4E (0.59) ALDH1A1GAAKDM4EHSD17B10NQO2
SCHEMBL31094955 0.65 CYP1A2 (0.44) ALDH1A1MAP2K1MAP2K2KDM4E
SCHEMBL2436864 0.65 KDM4E (0.45) ALDH1A1GAAKDM4EHSD17B10MAPT

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 10 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
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 EPRS1 2817/4885ALDH1A1 1655/4885HTT 488/4885
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN EPRS1 2981/4885ALDH1A1 2677/4885HTT 664/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN EPRS1 2981/4885ALDH1A1 2677/4885HTT 664/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A EPRS1 2817/4885ALDH1A1 1655/4885HTT 488/4885

“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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