SCHEMBL21099720

SCHEMBL21099720

Nc1nc2c(O)cc(Cl)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
NSD1 Q96L73 2/20 0.64
PDPK1 O15530 1/20 0.53
NSD2 O96028 1/20 0.51
NSD3 Q9BZ95 1/20 0.51
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL12957508 0.81 NSD1 (0.68) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL6718517 0.81 ALDH1A1 (1.00) ALDH1A1NSD1PDPK1NSD2NSD3
Hydrochloric Acid SCHEMBL1041262 0.79 NSD1 (0.66) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL11697325 0.78 ALDH1A1 (0.68) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL21091494 0.78 HSD17B10 (0.68) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL24616364 0.78 ALDH1A1 (0.68) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL21054943 0.78 NSD1 (1.00) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL11632384 0.78 ALDH1A1 (0.68) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL21091462 0.76 NSD1 (0.62) ALDH1A1NSD1PDPK1NSD2NSD3
SCHEMBL12758915 0.75 ALDH1A1 (0.58) ALDH1A1NSD1PDPK1NSD2NSD3

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 3591/4885NSD1 3/4885PDPK1 4206/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 ALDH1A1 3591/4885NSD1 3/4885PDPK1 4206/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 ALDH1A1 3591/4885NSD1 3/4885PDPK1 4206/4885

“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.