SCHEMBL29344786

SCHEMBL29344786

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.36
KLKB1 P03952 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
AHR P35869 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 2/20 0.31
SYK P43405 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ICMT O60725 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
SCHEMBL29345832 0.94 CFD (0.36) CFDKLKB1KDM4EALDH1A1MAPT
SCHEMBL29344689 0.94 CFD (0.37) CFDKLKB1KDM4EALDH1A1MAPT
SCHEMBL29122119 0.89 CFD (0.45) CFDKLKB1KDM4EALDH1A1MAPT
SCHEMBL29345799 0.88 CFD (0.36) CFDKLKB1KDM4EALDH1A1MAPT
SCHEMBL29345909 0.87 CFD (0.39) CFDKDM4EALDH1A1MAPTMEN1
SCHEMBL29344798 0.87 CFD (0.36) CFDKLKB1KDM4EALDH1A1MAPT
SCHEMBL29344822 0.85 CFD (0.35) CFD
SCHEMBL29346514 0.84 CFD (0.34) CFD
SCHEMBL29343599 0.83 CFD (0.38) CFDKDM4EALDH1A1MAPTMEN1
SCHEMBL31018846 0.82 CFD (0.44) CFDKLKB1KDM4EALDH1A1MAPT

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 3529/4885KLKB1 3/4885KDM4E 851/4885

“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.