SCHEMBL29122913

SCHEMBL29122913

CCOC(=O)Cc1ccccc1OCc1nn(C2CCC2)c2ccc(-c3ccc4ccnc(N)c4c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
TBXAS1 P24557 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
AHR P35869 1/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 6/20 0.33
DHFR P00374 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ERBB2 P04626 1/20 0.33
IGF1R P08069 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 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
SCHEMBL29122413 0.98 CFD (0.43) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29122676 0.98 CFD (0.43) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29121925 0.97 CFD (0.44) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29122497 0.94 CFD (0.42) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29122686 0.93 CFD (0.43) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29122757 0.92 CFD (0.40) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29122335 0.92 CFD (0.38) CFDKDM4EALDH1A1MAPTMEN1
SCHEMBL29122564 0.92 CFD (0.36) CFDKDM4EALDH1A1MAPTMEN1
SCHEMBL29122253 0.92 CFD (0.35) CFDKDM4EALDH1A1MAPTMEN1
SCHEMBL29340562 0.91 CFD (0.41) 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 3 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
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 3529/4885TBXAS1 2084/4885KDM4E 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.