SCHEMBL29122012

SCHEMBL29122012

COc1cnc(N)c2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.41
FYN P06241 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
EPHB4 P54760 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GAK O14976 2/20 0.38
RIPK2 O43353 1/20 0.38
COQ8A Q8NI60 1/20 0.38
NLK Q9UBE8 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL883238 0.83 PDE5A (0.43) PDE5AALDH1A1KDM4EMEN1NPC1
SCHEMBL8184699 0.81 KMT2A (0.42) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL7995744 0.80 ABCB11 (0.40) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL15580084 0.80 FYN (0.49) FYNGAKMAPTP2RX3P2RX2
SCHEMBL27919960 0.80 TRPV4 (0.40) ALDH1A1MEN1NPC1POLBKMT2A
SCHEMBL3430430 0.78 L3MBTL1 (0.39) PDE5AALDH1A1KDM4ENPC1GAK
SCHEMBL3478846 0.78 PDE10A (0.47) ALDH1A1MAPTHPGDHTTTDP1
SCHEMBL11608611 0.77 IDO1 (0.52) FYNALDH1A1KDM4EKMT2ATDP1
SCHEMBL15732216 0.76 ALDH1A1 (0.40) FYNALDH1A1HTT
SCHEMBL3431729 0.75 TRPM8 (0.40) ALDH1A1MEN1NPC1KMT2AGAK

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 PDE5A 869/4885FYN 2541/4885ALDH1A1 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.