SCHEMBL29343446

SCHEMBL29343446

COCc1c2cc(Br)ccc2nn1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ S1PR1 P21453 6/20 0.34
▸ HTT P42858 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL29122457 0.83 MAPT (0.38) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL29123043 0.82 POLB (0.40) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL29121967 0.80 MAPT (0.36) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL29121823 0.75 MAPK8 (0.45) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL28387098 0.74 MAPK8 (0.47) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL29122873 0.74 TBXAS1 (0.40) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL29122733 0.72 L3MBTL1 (0.43) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL16369672 0.72 MCHR1 (0.42) POLBKMT2ANPSR1MAPK1HTT
SCHEMBL28191890 0.70 POLB (0.47) POLBKMT2AALDH1A1NPSR1KDM4E
SCHEMBL29121828 0.68 IRAK4 (0.35) POLBALDH1A1MAPTHTTIRAK4

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 1 patent. 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

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 1480/4885ALDH1A1 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.

Send feedback