SCHEMBL29340256

SCHEMBL29340256

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cccc(C(=N)N)c3F)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.43
ICMT O60725 8/20 0.36
SCN9A Q15858 1/20 0.35
TBXAS1 P24557 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SYK P43405 5/20 0.34
PTGS2 P35354 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
SCHEMBL29340826 0.92 CFD (0.43) CFDICMTSCN9ATBXAS1MEN1
SCHEMBL29122344 0.91 CFD (0.40) CFDICMTTBXAS1MEN1POLB
SCHEMBL29340886 0.91 CFD (0.43) CFDICMTSCN9ATBXAS1MEN1
SCHEMBL29339704 0.91 CFD (0.46) CFDICMT
SCHEMBL29344014 0.91 P2RX3 (0.36) CFDICMTHPGDKMT2ASYK
SCHEMBL29340323 0.91 CFD (0.42) CFDICMTSCN9ATBXAS1SYK
SCHEMBL23218313 0.90 CFD (0.49) CFDICMTSCN9ATBXAS1MEN1
SCHEMBL29852743 0.90 CFD (0.49) CFDICMTSCN9ATBXAS1MEN1
SCHEMBL29340880 0.90 CFD (0.42) CFDICMTSCN9ATBXAS1MEN1
SCHEMBL29122004 0.86 CFD (0.42) CFDICMTTBXAS1MEN1POLB

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 4826/4885SCN9A 1893/4885

“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.