SCHEMBL29122008

SCHEMBL29122008

CCCCn1nc(C(=O)OC)c2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.56
CNR1 P21554 6/20 0.43
CNR2 P34972 6/20 0.43
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL29122000 0.93 ELANE (0.58) ELANEALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL29122252 0.88 ELANE (0.58) ELANEALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL30676419 0.88 ELANE (0.58) ELANEALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL29121525 0.87 ELANE (0.60) ELANEALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL18525604 0.86 ELANE (0.57) ELANESMN1; SMN2
SCHEMBL18526221 0.86 ELANE (0.52) ELANEMAPTTSHRHTT
SCHEMBL18525606 0.86 ELANE (0.52) ELANESMN1; SMN2TSHRHTT
SCHEMBL29345749 0.83 ELANE (0.47) ELANECNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL25930827 0.82 ELANE (0.58) ELANEMAPTTSHRHTT
SCHEMBL29121991 0.81 ELANE (0.57) ELANESMN1; SMN2MAPTTSHRHTT

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 ELANE 110/4885CNR1 4787/4885CNR2 4730/4885

“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.