SCHEMBL426372

SCHEMBL426372

CC(=O)NCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
PAOX Q6QHF9 3/20 0.43
MLYCD O95822 1/20 0.43
ADRA1A P35348 1/20 0.41
F13A1 P00488 1/20 0.38
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL21267963 0.87 KDM4E (0.41) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL14369902 0.87 SIGMAR1 (0.45) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL12341194 0.85 KDM4E (0.61) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL27380476 0.84 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL4762607 0.83 KDM4E (0.65) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL885113 0.82 KDM4E (0.50) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL21015542 0.81 KDM4E (0.70) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL21016313 0.81 KDM4E (0.70) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL19543467 0.81 SIGMAR1 (0.46) SIGMAR1MLYCD
SCHEMBL13589877 0.81 SIGMAR1 (0.46) ALDH1A1SIGMAR1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO claimed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
US-20240238212-A1 LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS Suzhou Abogen Biosciences Co., Ltd. (CN) 2024-07-18 US disclosed
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-31 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (10 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 KDM4E 1949/4885MAPK1 564/4885HIF1A 4221/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 KDM4E 3317/4885MAPK1 3758/4885HIF1A 585/4885
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL KDM4E 3956/4885MAPK1 2334/4885HIF1A 4276/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 KDM4E 4619/4885MAPK1 1939/4885HIF1A 2619/4885
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA KDM4E 4223/4885MAPK1 526/4885HIF1A 3527/4885
US-20240238212-A1 LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS CETP, NPC1, LCAT KDM4E 3784/4885MAPK1 2433/4885HIF1A 1718/4885
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds ZC3HAV1, ZC3HAV1L, RPL35 KDM4E 473/4885MAPK1 1446/4885HIF1A 1890/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 KDM4E 4646/4885MAPK1 2097/4885HIF1A 2710/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 KDM4E 4619/4885MAPK1 1939/4885HIF1A 2619/4885
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING RNGTT, NSUN2, POLN KDM4E 1416/4885MAPK1 2416/4885HIF1A 3654/4885

“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.