SCHEMBL21099593

SCHEMBL21099593

Cc1ccc(O)c2nc(N)sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.41
NSD1 Q96L73 1/20 0.39
NOS1 P29475 2/20 0.38
SLC6A2 P23975 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
AHR P35869 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL106320 0.84 ALDH1A1 (0.55) HTTPDPK1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL18340851 0.79 HTT (0.46) HTTPDPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL20297775 0.79 HTT (0.46) HTTPDPK1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21099719 0.78 SMN1; SMN2 (0.72) HTTPDPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21091402 0.78 PDPK1 (0.49) HTTPDPK1ALDH1A1SMN1; SMN2NSD1
SCHEMBL29885344 0.78 PDPK1 (0.49) HTTPDPK1ALDH1A1SMN1; SMN2NSD1
SCHEMBL10589885 0.78 SMN1; SMN2 (0.72) HTTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL288073 0.78 SMN1; SMN2 (0.49) HTTALDH1A1SMN1; SMN2KMT2AHSD17B10
Bromide SCHEMBL21839488 0.76 PDPK1 (0.47) HTTPDPK1ALDH1A1SMN1; SMN2NSD1
Bromide SCHEMBL29611625 0.76 PDPK1 (0.47) HTTPDPK1ALDH1A1SMN1; SMN2NSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-02-16 US disclosed
US-11324729-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-10 US disclosed
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-20 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 (3 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-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 HTT 2838/4885PDPK1 4206/4885ALDH1A1 3591/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 HTT 2838/4885PDPK1 4206/4885ALDH1A1 3591/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 HTT 2838/4885PDPK1 4206/4885ALDH1A1 3591/4885

“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.