SCHEMBL21100004

SCHEMBL21100004

CNc1cc(C)cc2sc(N)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.64
▸ MAPT P10636 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NSD1 Q96L73 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ NSD2 O96028 1/20 0.36
▸ NSD3 Q9BZ95 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LCK P06239 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL21100306 0.80 HSD17B10 (0.55) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL1913640 0.78 HSD17B10 (1.00) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL21091214 0.78 HSD17B10 (0.72) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL2271143 0.75 HSD17B10 (0.68) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL21091494 0.75 HSD17B10 (0.68) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL13846459 0.75 HSD17B10 (0.68) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL22253414 0.75 ALDH1A1 (0.68) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL14044812 0.75 HSD17B10 (0.68) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL23986229 0.74 ALDH1A1 (0.61) HSD17B10MAPTRAB9AALDH1A1LMNA
SCHEMBL2664863 0.72 HSD17B10 (0.64) HSD17B10MAPTRAB9AALDH1A1LMNA

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 HSD17B10 1732/4885MAPT 3102/4885RAB9A 2714/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 HSD17B10 1732/4885MAPT 3102/4885RAB9A 2714/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 HSD17B10 1732/4885MAPT 3102/4885RAB9A 2714/4885

“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.

Send feedback