SCHEMBL13201294

SCHEMBL13201294

CC(C)(C)c1cn[nH]c(=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NOTUM Q6P988 1/20 0.33
PTGS1 P23219 1/20 0.33
IDH1 O75874 1/20 0.32
DHPS P49366 1/20 0.32
SLC2A1 P11166 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL1691426 0.78 METAP2 (0.44) NOTUM
SCHEMBL21590001 0.74 ALDH1A1 (0.32) ALDH1A1SLC2A1KMT2AMITFTP53
SCHEMBL1150386 0.70
SCHEMBL8272421 0.67 PIK3C3 (0.37) ALDH1A1IDH1SLC2A1NPC1RAB9A
SCHEMBL17449428 0.65 DYRK1A (0.53) DHPSSLC2A1
SCHEMBL9031550 0.65
SCHEMBL391604 0.65
SCHEMBL700125 0.65
SCHEMBL31180495 0.65
SCHEMBL10788031 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158412-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF FAXIAN THERAPEUTICS, LLC 2024-05-16 US disclosed
EP-4288442-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF Faxian Therapeutics, LLC (US) 2023-12-13 EP disclosed
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
WO-2022170198-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF FAXIAN THERAPEUTICS, LLC (US) 2022-08-11 WO disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2015-12-03 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 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 (12 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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 ALDH1A1 2419/4885NOTUM 3281/4885PTGS1 475/4885
US-20240158412-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF USP7, USP28, USP1 ALDH1A1 1048/4885NOTUM 2992/4885PTGS1 3801/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 ALDH1A1 722/4885NOTUM 1506/4885PTGS1 763/4885
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 ALDH1A1 2144/4885NOTUM 3957/4885PTGS1 2612/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 ALDH1A1 2800/4885NOTUM 3214/4885PTGS1 611/4885
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 ALDH1A1 500/4885NOTUM 4220/4885PTGS1 148/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 ALDH1A1 1063/4885NOTUM 4042/4885PTGS1 2824/4885
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 ALDH1A1 1063/4885NOTUM 4042/4885PTGS1 2824/4885
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 ALDH1A1 1910/4885NOTUM 3513/4885PTGS1 3772/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 ALDH1A1 3584/4885NOTUM 4331/4885PTGS1 4024/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 ALDH1A1 1871/4885NOTUM 3371/4885PTGS1 3261/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 ALDH1A1 2800/4885NOTUM 3214/4885PTGS1 611/4885

“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.