SCHEMBL29340322

SCHEMBL29340322

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(C(=N)N)ccc3OC)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
ICMT O60725 9/20 0.41
DPP4 P27487 2/20 0.35
TBXAS1 P24557 1/20 0.34
PLAU P00749 1/20 0.34
TSPO P30536 1/20 0.34
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL29123049 0.91 CFD (0.40) CFDICMTDPP4TBXAS1TSPO
SCHEMBL29339681 0.91 ICMT (0.42) CFDICMTPLAUF2F10
SCHEMBL29344432 0.91 CFD (0.36) CFDICMTDPP4PLAUF2
SCHEMBL29340041 0.90 CFD (0.46) CFDICMTTBXAS1F2F10
SCHEMBL29340617 0.89 CFD (0.43) CFDICMTDPP4TBXAS1ALDH1A1
SCHEMBL29340320 0.87 CFD (0.43) CFDICMTTBXAS1ALDH1A1
SCHEMBL29340323 0.86 CFD (0.42) CFDICMTDPP4TBXAS1
SCHEMBL29123387 0.86 CFD (0.40) CFDICMTTBXAS1PLAUTSPO
SCHEMBL29340316 0.86 CFD (0.40) CFDICMTDPP4TBXAS1ALDH1A1
SCHEMBL29340826 0.85 CFD (0.43) CFDICMTTBXAS1ALDH1A1LMNA

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 3529/4885ICMT 4826/4885DPP4 544/4885

“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.