SCHEMBL29123043

SCHEMBL29123043

OCc1c2cc(Br)ccc2nn1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ESR1 P03372 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R2 O00459 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIK3R5 Q8WYR1 1/20 0.33
▸ PIK3R3 Q92569 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ HCAR3 P49019 2/20 0.33
▸ LMNA P02545 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
SCHEMBL29122457 0.99 MAPT (0.38) POLBKMT2AMAPTMAPK8KDM4E
SCHEMBL29121967 0.96 MAPT (0.36) POLBKMT2AMAPTMAPK8KDM4E
SCHEMBL29121828 0.82 IRAK4 (0.35) POLBMAPTMAPK8ALDH1A1RXFP1
SCHEMBL29343446 0.82 POLB (0.34) POLBKMT2AMAPTKDM4EALDH1A1
SCHEMBL29122612 0.78 POLB (0.35) POLBKMT2AMAPTMAPK8KDM4E
SCHEMBL29122614 0.78 POLB (0.35) POLBKMT2AMAPTMAPK8KDM4E
SCHEMBL28191890 0.77 POLB (0.47) POLBKMT2AMAPTMAPK8KDM4E
SCHEMBL29122015 0.77 GPR119 (0.43) TP53CYP3A4CNR1
SCHEMBL29340428 0.75 MAPK8 (0.44) POLBMAPTMAPK8ALDH1A1NPSR1
SCHEMBL29121743 0.74 TEAD1 (0.38) POLBKMT2AMAPTMAPK8KDM4E

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 POLB 1866/4885KMT2A 1480/4885MAPT 1734/4885

“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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