SCHEMBL29121912

SCHEMBL29121912

COC(=O)c1c2cc(Br)ccc2nn1CC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.50
▸ PTGER4 P35408 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ SLC2A2 P11168 1/20 0.40
▸ SLC2A3 P11169 1/20 0.40
▸ P2RY14 Q15391 3/20 0.39
▸ ELANE P08246 3/20 0.38
▸ POLB P06746 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL29121796 0.86 SLC2A1 (0.44) MAPK8L3MBTL1TSHRHTTSLC2A1
SCHEMBL29122701 0.82 L3MBTL1 (0.47) MAPK8L3MBTL1TSHRHTTELANE
SCHEMBL29122009 0.81 USP30 (0.41) MAPK8L3MBTL1
SCHEMBL29122733 0.80 L3MBTL1 (0.43) MAPK8L3MBTL1TSHRHTTELANE
SCHEMBL27242612 0.80 PTGER4 (0.62) MAPK8PTGER4L3MBTL1HTTP2RY14
SCHEMBL29122531 0.80 TSHR (0.46) MAPK8L3MBTL1TSHRHTTELANE
SCHEMBL29122065 0.80 ELANE (0.53) MAPK8P2RY14ELANE
SCHEMBL30676571 0.80 ELANE (0.53) MAPK8P2RY14ELANE
SCHEMBL31430178 0.79 L3MBTL1 (0.44) MAPK8L3MBTL1TSHRHTTELANE
SCHEMBL29122439 0.79 L3MBTL1 (0.44) MAPK8L3MBTL1TSHRHTTELANE

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 MAPK8 2662/4885PTGER4 3145/4885L3MBTL1 3540/4885

“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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