SCHEMBL29340537

SCHEMBL29340537

COC(=O)c1nn([C@@H](C)C(C)C)c2ccc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.58
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 1/20 0.39
F2 P00734 4/20 0.39
PLAU P00749 4/20 0.39
CTRB1 P17538 2/20 0.39
KLKB1 P03952 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL21244228 0.90 ELANE (0.60) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL29121871 0.85 ELANE (0.56) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL29121872 0.85 ELANE (0.56) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL30676466 0.85 ELANE (0.56) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL30676560 0.85 ELANE (0.56) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL29122225 0.85 ELANE (0.56) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL17419175 0.80 ELANE (0.64) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL31646748 0.80 ELANE (0.64) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL498197 0.79 ELANE (0.51) ELANEL3MBTL1NR4A2F2PLAU
SCHEMBL29121991 0.79 ELANE (0.57) ELANEL3MBTL1NR4A2F2PLAU

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 ELANE 110/4885L3MBTL1 3540/4885NR4A2 2887/4885

“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.