SCHEMBL29122439

SCHEMBL29122439

COC(=O)c1c2cc(Br)ccc2nn1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ELANE P08246 4/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL31725385 0.91 L3MBTL1 (0.43) L3MBTL1TSHRHTTELANEMCL1
SCHEMBL29122701 0.86 L3MBTL1 (0.47) L3MBTL1TSHRHTTELANEGAA
SCHEMBL31725368 0.84 L3MBTL1 (0.40) L3MBTL1TSHRHTTELANEMCL1
SCHEMBL29122531 0.84 TSHR (0.46) L3MBTL1TSHRHTTELANEMAPK8
SCHEMBL31430178 0.82 L3MBTL1 (0.44) L3MBTL1TSHRHTTELANEGAA
SCHEMBL29121875 0.81 TSHR (0.44) L3MBTL1TSHRHTTELANEMAPK8
SCHEMBL23218298 0.81 L3MBTL1 (0.47) L3MBTL1TSHRHTTELANEMCL1
SCHEMBL31725438 0.80 ELANE (0.38) L3MBTL1TSHRHTTELANEGAA
SCHEMBL29122647 0.79 L3MBTL1 (0.43) L3MBTL1TSHRHTTELANEMCL1
SCHEMBL29123026 0.79 L3MBTL1 (0.43) L3MBTL1TSHRHTTELANEMCL1

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 4 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
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 L3MBTL1 3540/4885TSHR 4825/4885HTT 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.

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