SCHEMBL3020769

SCHEMBL3020769

O=C(O)NC1CCc2cc([N+](=O)[O-])cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
GRIN2B Q13224 4/20 0.39
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HCAR3 P49019 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL3020771 1.00 HDAC8 (0.43) HDAC8GRIN2BOPRK1ALDH1A1TDP1
SCHEMBL29630894 0.81 CA1 (0.51) HDAC8GRIN2BALDH1A1
SCHEMBL13213509 0.81 CA1 (0.51) HDAC8GRIN2BALDH1A1
SCHEMBL3009533 0.79 MTNR1A (0.36) GRIN2BMTNR1AMTNR1B
SCHEMBL20722710 0.79 MTNR1A (0.35) HDAC8OPRK1MTNR1AMTNR1B
SCHEMBL3020927 0.78 HDAC8 (0.31) HDAC8
SCHEMBL3020933 0.78 HDAC8 (0.31) HDAC8
SCHEMBL3020855 0.78 CYP1A2 (0.37) HDAC8OPRK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL3020851 0.78 CYP1A2 (0.37) HDAC8OPRK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL3016071 0.76 MTNR1A (0.35) ALDH1A1SMN1; SMN2LMNAMAPTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
EP-3665169-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2020-06-17 EP disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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 (2 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 HDAC8 110/4885GRIN2B 3388/4885OPRK1 3379/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH HDAC8 610/4885GRIN2B 1764/4885OPRK1 646/4885

“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.