SCHEMBL3334809

SCHEMBL3334809

Cc1ccc(F)c2c1NC(=O)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.62
DAO P14920 2/20 0.52
TGM2 P21980 1/20 0.43
POLB P06746 1/20 0.41
CDK2 P24941 1/20 0.39
DNMT1 P26358 1/20 0.39
AGTR1 P30556 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
NSD2 O96028 2/20 0.36
TDP2 O95551 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
BCHE P06276 2/20 0.35
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 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
SCHEMBL31483785 1.00 CES1 (0.62) CES1DAOTGM2POLBCDK2
SCHEMBL3640512 0.85 CES1 (0.53) CES1DAOTGM2CDK2DNMT1
SCHEMBL331905 0.84 TGM2 (0.48) CES1DAOTGM2DNMT1NSD2
SCHEMBL5323338 0.84 CES1 (0.71) CES1DAOPOLBDNMT1AGTR1
Hydrochloric Acid SCHEMBL6527990 0.82 CES1 (0.69) CES1DAOPOLBDNMT1AGTR1
SCHEMBL8274198 0.77 PARP1 (0.40) CES1POLBCDK2NSD2TDP2
SCHEMBL24399769 0.77 TGM2 (0.43) CES1DAOTGM2DNMT1ALDH1A1
SCHEMBL12069895 0.77 TGM2 (0.43) CES1DAOTGM2DNMT1NSD2
SCHEMBL5230708 0.77 CES1 (0.62) CES1DAOTGM2POLBDNMT1
SCHEMBL950949 0.77 CES1 (1.00) CES1DAOPOLBDNMT1AGTR1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958837-B2 Quinazolinones as PARP14 inhibitors RIBON THERAPEUTICS, INC. (US) 2024-04-16 US disclosed
EP-4212515-A1 QUINAZOLINONES AS PARP14 INHIBITORS Ribon Therapeutics Inc. (US) 2023-07-19 EP disclosed
EP-3728207-B1 QUINAZOLINONES AS PARP14 INHIBITORS RIBON THERAPEUTICS INC (US) 2023-02-01 EP disclosed
US-20230018702-A1 QUINAZOLINONES AS PARP14 INHIBITORS ABBVIE BIOTECHNOLOGY LTD (BM) 2023-01-19 US disclosed
EP-3180332-B1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS INC (US) 2021-10-27 EP disclosed
US-11008308-B2 Quinazolinones as PARP14 inhibitors Ribon Therapeutics Inc. (US) 2021-05-18 US disclosed
EP-3728207-A1 QUINAZOLINONES AS PARP14 INHIBITORS Ribon Therapeutics Inc. (US) 2020-10-28 EP disclosed
CN-111699176-A Quinazolinones as PARP14 inhibitors 里邦医疗公司 2020-09-22 CN disclosed
US-20200247788-A1 QUINAZOLINONES AS PARP14 INHIBITORS ABBVIE BIOTECHNOLOGY LTD (BM) 2020-08-06 US disclosed
US-10562891-B2 Quinazolinones as PARP14 inhibitors Ribon Therapeutics Inc. (US) 2020-02-18 US disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-09-26 US disclosed
US-8415370-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-04-09 US disclosed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US disclosed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 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 (9 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-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 CES1 997/4885DAO 2747/4885TGM2 3072/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CES1 3034/4885DAO 2469/4885TGM2 4519/4885
US-11958837-B2 Quinazolinones as PARP14 inhibitors PARP14, PARP15, PARP11 CES1 3319/4885DAO 4286/4885TGM2 3697/4885
US-20200247788-A1 QUINAZOLINONES AS PARP14 INHIBITORS PARP14, PARP15, PARP11 CES1 3319/4885DAO 4286/4885TGM2 3697/4885
US-10562891-B2 Quinazolinones as PARP14 inhibitors PARP14, PARP15, PARP11 CES1 3319/4885DAO 4286/4885TGM2 3697/4885
US-11008308-B2 Quinazolinones as PARP14 inhibitors PARP14, PARP15, PARP11 CES1 3319/4885DAO 4286/4885TGM2 3697/4885
US-20230018702-A1 QUINAZOLINONES AS PARP14 INHIBITORS PARP14, PARP15, PARP11 CES1 3319/4885DAO 4286/4885TGM2 3697/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 CES1 3090/4885DAO 2377/4885TGM2 4511/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CES1 3034/4885DAO 2469/4885TGM2 4519/4885

“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.