SCHEMBL3751967

SCHEMBL3751967

NC(=O)C1NC(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 4/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ATM Q13315 1/20 0.38
PARP3 Q9Y6F1 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL14398778 0.93 HSD17B10 (0.51) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL11612863 0.86 HSD17B10 (0.55) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL2597846 0.83 HSD17B10 (0.51) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL8090678 0.81 HSD17B10 (0.46) HSD17B10CYP1A2HTR2BTNKS2TSHR
SCHEMBL13135997 0.81 HSD17B10 (0.50) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL19551053 0.81 HSD17B10 (0.50) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL22333014 0.81 HSD17B10 (0.50) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL19551118 0.81 HSD17B10 (0.50) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL21253062 0.79 MAPT (0.49) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL2597979 0.75 CYP1A2 (0.49) HSD17B10CYP1A2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents ASTRAZENECA AB (SE) 2009-11-26 US disclosed
US-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents ASTRAZENECA AB (SE) 2009-11-26 US disclosed
CN-101490002-A 3-oxoisoindoline-1-carboxamide derivatives as analgesic agents ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
EP-2044019-A1 3-OXOISOINDOLINE-1-CARBOXAMIDE DERIVATIVES AS ANALGESIC AGENTS Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008008020-A1 3-OXOISOINDOLINE-1-CARBOXAMIDE DERIVATIVES AS ANALGESIC AGENTS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 HSD17B10 1895/4885CYP1A2 8/4885HTR2A 2585/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 HSD17B10 1113/4885CYP1A2 27/4885HTR2A 1827/4885
US-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents OPRD1, OPRK1, OPRM1 HSD17B10 3049/4885CYP1A2 59/4885HTR2A 151/4885

“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.