SCHEMBL29615860

SCHEMBL29615860

N=C(N)c1ccc(C2Cc3cc(Cl)c(F)cc3B(O)O2)cc1OCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 20/20 1.00
F2 P00734 20/20 1.00
KLKB1 P03952 20/20 1.00
KLK14 Q9P0G3 20/20 1.00
KLK5 Q9Y337 20/20 1.00
ST14 Q9Y5Y6 20/20 1.00
F10 P00742 19/20 1.00
PLAU P00749 13/20 1.00
ELANE P08246 12/20 1.00
KLK1 P06870 10/20 0.75
KLK7 P49862 6/20 0.73

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
SCHEMBL21585889 1.00 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585880 0.86 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL23761029 0.85 KLK8 (0.75) KLK8F2KLKB1KLK14KLK5
SCHEMBL26332072 0.85 KLK8 (0.81) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585884 0.84 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL30712330 0.84 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585886 0.84 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21590048 0.84 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
Hydrochloric Acid SCHEMBL23753671 0.84 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
Hydrochloric Acid SCHEMBL23753668 0.84 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5

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-11352372-B2 Benzimidamides compounds comprising an oxaborinin ring INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2022-06-07 US claimed

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-11352372-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK5 KLK8 6/4885F2 1430/4885KLKB1 1/4885

“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.