SCHEMBL29122594

SCHEMBL29122594

COC(=O)c1c2cc(Br)ccc2nn1[C@H]1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ SRC P12931 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ ELANE P08246 3/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ IRAK4 Q9NWZ3 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
SCHEMBL29122916 1.00 L3MBTL1 (0.40) L3MBTL1TSHRHTTMAPK8SRC
SCHEMBL29121571 1.00 L3MBTL1 (0.40) L3MBTL1TSHRHTTMAPK8SRC
SCHEMBL29122002 0.94 MAPK8 (0.39) L3MBTL1TSHRHTTMAPK8SLC2A1
SCHEMBL29122339 0.93 L3MBTL1 (0.41) L3MBTL1TSHRHTTMAPK8SLC2A1
SCHEMBL29121823 0.85 MAPK8 (0.45) L3MBTL1TSHRHTTMAPK8ELANE
SCHEMBL29122733 0.85 L3MBTL1 (0.43) L3MBTL1TSHRHTTMAPK8ELANE
SCHEMBL28387098 0.84 MAPK8 (0.47) L3MBTL1TSHRHTTMAPK8ELANE
SCHEMBL29121796 0.82 SLC2A1 (0.44) L3MBTL1TSHRHTTMAPK8SLC2A1
SCHEMBL29121562 0.80 ELANE (0.51) TSHRELANEPDE1APDE1BPDE1C
SCHEMBL29121920 0.80 ELANE (0.51) TSHRELANEPDE1APDE1BPDE1C

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 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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