SCHEMBL29344953

SCHEMBL29344953

CCOC(=O)Cc1cc(COC)ccc1OCc1c2cc(-c3ccc4ccnc(N)c4c3)ccc2nn1C1CN(CCO)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
AHR P35869 1/20 0.32
CFD P00746 1/20 0.31
HPGD P15428 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29344854 0.95 MTOR (0.31) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29121915 0.90 CFD (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29345235 0.89 KDM4E (0.33) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29345347 0.89 CFD (0.35) CFD
SCHEMBL29344778 0.87 SRC (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29122223 0.86 CFD (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29344881 0.86 ABL1 (0.31) CFD
SCHEMBL31018871 0.85 CFD (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29340366 0.85 CFD (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29345220 0.84 CFTR (0.35) KDM4EALDH1A1MAPTMEN1KMT2A

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 KDM4E 851/4885ALDH1A1 1532/4885MAPT 1734/4885

“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.