SCHEMBL21820211

SCHEMBL21820211

Cn1c(=O)cc(CN2C(=O)c3ccccc3C2=O)c2ccc(F)c(Br)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.39
▸ RECQL P46063 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL30236737 1.00 RXFP1 (0.39) RXFP1RECQLKDM4EGAAPRMT5
SCHEMBL21820246 0.82 RXFP1 (0.41) RXFP1RECQLKDM4EGAAPABPC1
SCHEMBL30237686 0.82 RXFP1 (0.41) RXFP1RECQLKDM4EGAAPABPC1
SCHEMBL21820306 0.81 RXFP1 (0.38) RXFP1RECQLKDM4EGAAPABPC1
SCHEMBL20582475 0.78 CYP19A1 (0.33) —
SCHEMBL21820231 0.78 MAPT (0.35) SMN1; SMN2MAPT
SCHEMBL21820278 0.76 HSD17B3 (0.38) KDM4EGAASMN1; SMN2MAPT
SCHEMBL21820274 0.72 NQO2 (0.51) KDM4E
SCHEMBL29411210 0.71 GRM5 (0.51) PRMT5WDR77CASP3RAB9AMAPT
SCHEMBL17979154 0.71 GRM5 (0.51) PRMT5WDR77CASP3RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof Bugworks Research, Inc. (US) 2021-02-09 — — US 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 (2 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 RXFP1 3724/4885RECQL 363/4885KDM4E 4467/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A RXFP1 3724/4885RECQL 363/4885KDM4E 4467/4885

“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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