SCHEMBL21099753

SCHEMBL21099753

COc1cc(Cl)cc2sc(N)nc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CYP3A4 P08684 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NSD1 Q96L73 1/20 0.39
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL21091219 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL28795289 0.83 CYP3A4 (0.60) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL29803040 0.83 CYP3A4 (0.60) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL2664863 0.81 HSD17B10 (0.64) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL9722840 0.81 CYP3A4 (0.58) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL21395394 0.80 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL21091722 0.80 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL20319227 0.80 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL21054913 0.80 NSD1 (0.58) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2
SCHEMBL28213770 0.80 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1HSD17B10CYP1A2

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 ALDH1A1 3591/4885CYP3A4 3981/4885TDP1 1117/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 ALDH1A1 3591/4885CYP3A4 3981/4885TDP1 1117/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 ALDH1A1 3591/4885CYP3A4 3981/4885TDP1 1117/4885

“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.