SCHEMBL29340730

SCHEMBL29340730

CCOC(=O)Cc1ccccc1OCc1nn([C@H]2CCOC2)c2ccc(-c3ccc4ccnc(N)c4c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.41
SRC P12931 1/20 0.38
TBXAS1 P24557 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
AHR P35869 1/20 0.33
HPGD P15428 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL31018887 1.00 CFD (0.41) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL31018844 1.00 CFD (0.41) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL29340733 1.00 CFD (0.41) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL29121965 1.00 CFD (0.41) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL29122757 0.96 CFD (0.40) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL29122497 0.96 CFD (0.42) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL29121925 0.92 CFD (0.44) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29121704 0.91 CFD (0.38) CFDSRCKDM4CF2F9
SCHEMBL29122413 0.91 CFD (0.43) CFDSRCTBXAS1KDM4EALDH1A1
SCHEMBL29122913 0.91 CFD (0.43) CFDTBXAS1KDM4EALDH1A1MAPT

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 2 patents. 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
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 3529/4885SRC 3403/4885TBXAS1 2084/4885

“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.