SCHEMBL30644752

SCHEMBL30644752

N=c1[nH]c(=S)[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 4/20 0.58
MAPT P10636 4/20 0.58
PSMB8 P28062 2/20 0.58
CYP3A4 P08684 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 4/20 0.48
GPR3 P46089 2/20 0.48
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 3/20 0.41
AHR P35869 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL3418278 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTCYP3A4KMT2A
SCHEMBL2680080 0.77 KMT2A (0.64) ALDH1A1HSD17B10MAPTPSMB8CYP3A4
2-Mercaptobenzimidazole SCHEMBL29360590 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPTPSMB8CYP3A4
2-Mercaptobenzimidazole SCHEMBL705730 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPTPSMB8CYP3A4
SCHEMBL29446348 0.74 KDM4E (0.63) ALDH1A1HSD17B10MAPTPSMB8CYP3A4
SCHEMBL2517723 0.74 KDM4E (0.63) ALDH1A1HSD17B10MAPTKMT2AGPR3
SCHEMBL30644718 0.74 KDM4E (0.63) ALDH1A1HSD17B10MAPTKMT2AGPR3
SCHEMBL1342985 0.74 KDM4E (0.63) ALDH1A1HSD17B10MAPTPSMB8CYP3A4
2-Mercaptobenzimidazole SCHEMBL29562524 0.73 ALDH1A1 (0.94) ALDH1A1HSD17B10MAPTPSMB8CYP3A4
SCHEMBL29814291 0.69 ALDH1A1 (0.68) ALDH1A1HSD17B10MAPTPSMB8CYP3A4

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-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 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-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE ALDH1A1 1394/4885HSD17B10 1091/4885MAPT 2923/4885

“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.