SCHEMBL29122004

SCHEMBL29122004

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.42
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TBXAS1 P24557 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CYP2C9 P11712 3/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL29123213 0.92 CFD (0.42) CFDHSD17B10HTTALOX5APFEN1
SCHEMBL29121917 0.91 CFD (0.42) CFDHSD17B10HTTALOX5APFEN1
SCHEMBL29121623 0.91 CFD (0.41) CFDHSD17B10HTTALOX5APFEN1
SCHEMBL29122505 0.90 CFD (0.41) CFDHSD17B10HTTALOX5APFEN1
SCHEMBL23218313 0.89 CFD (0.49) CFDHTTTBXAS1MEN1POLB
SCHEMBL29852743 0.89 CFD (0.49) CFDHTTTBXAS1MEN1POLB
SCHEMBL29340256 0.86 CFD (0.43) CFDHTTTBXAS1MEN1POLB
SCHEMBL29121619 0.86 CFD (0.42) CFDHSD17B10HTTTBXAS1CYP2C9
SCHEMBL23218606 0.85 CFD (0.40) CFDHSD17B10HTTALOX5APFEN1
SCHEMBL23218894 0.85 CFD (0.46) CFDHTTTBXAS1ALDH1A1LMNA

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
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN 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 3529/4885HSD17B10 169/4885HTT 4518/4885

“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.