SCHEMBL29344432

SCHEMBL29344432

CCOC(=O)Cc1cc(COC)ccc1OCc1nn(C(C)C)c2ccc(-c3cc(C(=N)N)ccc3OC)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.36
F10 P00742 3/20 0.35
ICMT O60725 6/20 0.34
F2 P00734 3/20 0.34
DPP4 P27487 2/20 0.33
PLAU P00749 2/20 0.33
TPH1 P17752 2/20 0.32
PRSS1 P07477 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PLG P00747 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
SCHEMBL29340322 0.91 CFD (0.43) CFDF10ICMTF2DPP4
SCHEMBL29345955 0.89 SYK (0.36) CFDICMTF2DPP4ALDH1A1
SCHEMBL29344426 0.88 CFD (0.35) CFDF10ICMTF2DPP4
SCHEMBL29344470 0.87 CFD (0.36) CFDICMTDPP4
SCHEMBL29346397 0.86 CFD (0.36) CFDICMTALDH1A1LMNA
SCHEMBL29346473 0.86 CFD (0.36) CFDICMTF2
SCHEMBL29123049 0.82 CFD (0.40) CFDICMTDPP4ALDH1A1LMNA
SCHEMBL29344689 0.82 CFD (0.37) CFDICMTDPP4ALDH1A1LMNA
SCHEMBL29343599 0.82 CFD (0.38) CFDICMTDPP4ALDH1A1LMNA
SCHEMBL29339681 0.82 ICMT (0.42) CFDF10ICMTF2PLAU

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CFD 3529/4885F10 3783/4885ICMT 4826/4885

“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.