SCHEMBL29122000

SCHEMBL29122000

CCCn1nc(C(=O)OC)c2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.58
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
PTGER4 P35408 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
NR4A2 P43354 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
CTRB1 P17538 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
SCHEMBL29122008 0.93 ELANE (0.56) ELANEALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL29122252 0.90 ELANE (0.58) ELANEALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL30676419 0.90 ELANE (0.58) ELANEALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL29121525 0.90 ELANE (0.60) ELANEALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL18525604 0.89 ELANE (0.57) ELANESMN1; SMN2LMNAPTGER4L3MBTL1
SCHEMBL25930827 0.85 ELANE (0.58) ELANETSHRHTTL3MBTL1NR4A2
SCHEMBL29121991 0.84 ELANE (0.57) ELANESMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL18525606 0.83 ELANE (0.52) ELANESMN1; SMN2TSHRHTTPTGER4
SCHEMBL18526221 0.83 ELANE (0.52) ELANETSHRHTTPTGER4L3MBTL1
SCHEMBL31584522 0.82 ELANE (0.56) ELANETSHRHTTPTGER4L3MBTL1

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 110/4885ALDH1A1 1532/4885SMN1; SMN2 4845/4885

“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.