SCHEMBL23046594

SCHEMBL23046594

NC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.50
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ FOLH1 Q04609 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL20581860 0.88 FOLH1 (0.54) LMNAMAPTL3MBTL1NPC1CYP2C9
SCHEMBL9706496 0.88 PARP1 (0.52) PARP1HTTLMNASIRT2MAPT
SCHEMBL30184648 0.87 PARP1 (0.54) PARP1HTTSIRT2MAPTL3MBTL1
SCHEMBL7689226 0.81 PARP1 (0.61) PARP1HTTLMNASIRT2MAPT
SCHEMBL29179263 0.79 MRGPRX4 (0.52) MAPTL3MBTL1NPC1CYP2C9CYP2C19
SCHEMBL2229263 0.77 FOLH1 (0.57) MAPTL3MBTL1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28840214 0.77 PARP10 (0.47) PARP1HTTLMNASIRT2NPC1
SCHEMBL718082 0.77 PARP1 (0.79) PARP1HTTLMNAMAPTNPC1
SCHEMBL4143247 0.77 NPC1 (0.52) PARP1HTTLMNASIRT2MAPT
Hydrochloric Acid SCHEMBL514324 0.76 FOLH1 (0.56) MAPTL3MBTL1CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933051-B2 Carbapenem compounds and compositions for the treatment of bacterial infections FOB SYNTHESIS, INC. (US) 2021-03-02 — — 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 (1 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-10933051-B2 Carbapenem compounds and compositions for the treatment of bacterial infections SLC11A2, GSK3B, GSK3A PARP1 158/4885HTT 4815/4885LMNA 739/4885

“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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