SCHEMBL24209136

SCHEMBL24209136

CCOc1ccc(N2CC3CN(CCSCCN)CC3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.41
BACE1 P56817 1/20 0.41
HTR7 P34969 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ACACB O00763 10/20 0.39
KIF11 P52732 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CACNA2D1 P54289 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 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
SCHEMBL22014801 0.80 HTR7 (0.43) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL23701361 0.78 HRH3 (0.50) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL23701360 0.78 HRH3 (0.50) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL23701485 0.74 ACACB (0.44) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL23199742 0.74 LMNA (0.52) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL23199743 0.74 LMNA (0.52) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL23701487 0.74 ACACB (0.44) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL22015807 0.73 HSD17B10 (0.52) ALDH1A1TP53SMN1; SMN2TDP1MAPT
SCHEMBL23732273 0.70 CHRNB2 (0.66) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL21963784 0.70 CHRNB2 (0.66) ALDH1A1TP53NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 ALDH1A1 122/4885TP53 2406/4885NPC1 1690/4885

“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.