SCHEMBL29122457

SCHEMBL29122457

OCc1c2cc(Br)ccc2nn1C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.34
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ SLC22A12 Q96S37 3/20 0.32
▸ HCAR3 P49019 2/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R2 O00459 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL29123043 0.99 POLB (0.40) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL29121967 0.97 MAPT (0.36) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL29121828 0.83 IRAK4 (0.35) MAPTPOLBALDH1A1MAPK8RXFP1
SCHEMBL29343446 0.83 POLB (0.34) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL29122614 0.80 POLB (0.35) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL29122612 0.80 POLB (0.35) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL29122015 0.78 GPR119 (0.43) CNR1IRAK4
SCHEMBL29340428 0.76 MAPK8 (0.44) MAPTPOLBALDH1A1NPSR1MAPK8
SCHEMBL28191890 0.76 POLB (0.47) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL29121743 0.75 TEAD1 (0.38) MAPTPOLBALDH1A1KMT2AKDM4E

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 MAPT 1734/4885POLB 1866/4885ALDH1A1 1532/4885

“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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