SCHEMBL29340320

SCHEMBL29340320

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(OC)cc(C(=N)N)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ICMT O60725 4/20 0.35
TBXAS1 P24557 1/20 0.34
PLA2G2A P14555 8/20 0.34
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
SYK P43405 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
SCHEMBL29122941 0.91 CFD (0.40) CFDKDM4EALDH1A1GLAGAA
SCHEMBL29339677 0.91 CFD (0.39) CFDICMT
SCHEMBL29340041 0.90 CFD (0.46) CFDKDM4EALDH1A1MAPTHPGD
SCHEMBL29344426 0.90 CFD (0.35) CFDKDM4EALDH1A1GLAGAA
SCHEMBL29121929 0.88 CFD (0.40) CFDKDM4EALDH1A1GLAGAA
SCHEMBL29340617 0.87 CFD (0.43) CFDKDM4EALDH1A1GLAGAA
SCHEMBL29340322 0.87 CFD (0.43) CFDALDH1A1ICMTTBXAS1
SCHEMBL29340055 0.87 CFD (0.40) CFDKDM4EALDH1A1GLAGAA
SCHEMBL23219007 0.84 CFD (0.47) CFDKDM4EALDH1A1MAPTHPGD
SCHEMBL29852422 0.84 CFD (0.47) CFDKDM4EALDH1A1MAPTHPGD

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 3529/4885KDM4E 851/4885ALDH1A1 1532/4885

“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.