SCHEMBL29347161

SCHEMBL29347161

CC(C)COC(=O)NCCCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSP90AA1 P07900 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MGLL Q99685 1/20 0.44
MMP8 P22894 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42

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
SCHEMBL847829 0.82 HDAC1 (0.48) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL29346859 0.82 MEN1 (0.52) LMNACNR1CNR2KMT2AMEN1
SCHEMBL6565064 0.78 HTT (0.63) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2551512 0.77 CA1 (0.53) LMNACNR1CNR2KMT2AMEN1
SCHEMBL29037917 0.76 GLA (0.72) LMNAALDH1A1KMT2APLAAT3PLAAT5
SCHEMBL15468096 0.75 GLA (0.70) CNR1KMT2AMGLLPLAAT3PLAAT5
SCHEMBL159731 0.75 GLA (0.70) CNR1KMT2AMGLLPLAAT3PLAAT5
SCHEMBL18075914 0.74 LMNA (0.51) LMNAALDH1A1TSHRMAPK1HTT
SCHEMBL14672313 0.74 HSP90AA1 (0.58) ALDH1A1CNR1CNR2KMT2AMEN1
SCHEMBL8585756 0.73 KMT2A (0.56) KMT2AMEN1MGLL

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 LMNA 1466/4885ALDH1A1 1532/4885CHRNB2 3610/4885

“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.