SCHEMBL21551640

SCHEMBL21551640

CN(Cc1cc(Cl)nc(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TACR1 P25103 2/20 0.41
HSP90AA1 P07900 1/20 0.41
AOC3 Q16853 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30791564 0.85 ALDH1A1 (0.47) RAB9AALDH1A1HTTNPC1CA12
SCHEMBL23358048 0.80 RECQL (0.51) RAB9AALDH1A1HTTNPC1CA12
SCHEMBL21564566 0.77 HTR2C (0.45) TACR1HSP90AA1
SCHEMBL20338982 0.77 KMT2A (0.65) RAB9AALDH1A1HTTNPC1KMT2A
SCHEMBL6121488 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL18317001 0.75 TACR1 (0.49) RAB9AALDH1A1HTTNPC1CA12
SCHEMBL21528103 0.74 RAB9A (0.42) RAB9AALDH1A1HTTNPC1CA12
SCHEMBL20344316 0.74 SMN1; SMN2 (0.54) ALDH1A1KMT2AAOC3SMN1; SMN2
SCHEMBL3326164 0.74 ALDH1A1 (0.51) RAB9AALDH1A1HTTNPC1KMT2A
SCHEMBL19949104 0.73 KMT2A (0.45) RAB9AALDH1A1NPC1CA12CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 WO 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 (2 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-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 RAB9A 352/4885ALDH1A1 3733/4885HTT 2816/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 RAB9A 352/4885ALDH1A1 3733/4885HTT 2816/4885

“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.