SCHEMBL29345799

SCHEMBL29345799

CCOC(=O)Cc1cc(COC)ccc1OCc1nn(CC(C)C)c2ccc(-c3ccc4ccnc(N)c4c3)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.36
ICMT O60725 4/20 0.33
NR1H2 P55055 2/20 0.33
KLKB1 P03952 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
AHR P35869 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.31
DPP4 P27487 2/20 0.31
SYK P43405 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29344798 0.91 CFD (0.36) CFDICMTKLKB1KDM4EALDH1A1
SCHEMBL29344689 0.90 CFD (0.37) CFDICMTKLKB1KDM4EALDH1A1
SCHEMBL29121697 0.89 CFD (0.44) CFDICMTNR1H2KDM4EALDH1A1
SCHEMBL29345832 0.89 CFD (0.36) CFDKLKB1KDM4EALDH1A1MAPT
SCHEMBL29344786 0.88 CFD (0.36) CFDICMTKLKB1KDM4EALDH1A1
SCHEMBL29346679 0.88 CFD (0.34) CFD
SCHEMBL29345909 0.86 CFD (0.39) CFDICMTKDM4EALDH1A1MAPT
SCHEMBL29346677 0.85 CFD (0.34) CFDKLKB1
SCHEMBL29344822 0.84 CFD (0.35) CFD
SCHEMBL29345803 0.84 CFD (0.38) CFDICMTNR1H2KLKB1ALDH1A1

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 4826/4885NR1H2 1180/4885

“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.