SCHEMBL16019366

SCHEMBL16019366

Cc1ccn(C(C)(C)C)c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KMT2A Q03164 2/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MGLL Q99685 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL26002966 0.83 KDM4E (0.37) ALDH1A1KDM4EAPOBEC3AAPOBEC3GKMT2A
SCHEMBL18102199 0.81 KDM4E (0.38) ALDH1A1KDM4EAPOBEC3AAPOBEC3GCA2
SCHEMBL26014372 0.77 PARK7 (0.32) CA12CA1CA9
SCHEMBL22403089 0.77 HSP90AA1 (0.31) KMT2AMEN1CA12CA1CA9
SCHEMBL10205288 0.77 HDAC4 (0.41) ALDH1A1KMT2ACA2MAPTMEN1
SCHEMBL22402990 0.77 CA12 (0.38) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL26003113 0.74 MGLL (0.36) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL16019374 0.74 CA2 (0.39) ALDH1A1KMT2ACA2MAPTMEN1
SCHEMBL16019333 0.74 KDM4E (0.32) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL22867366 0.72 CASP3 (0.37) ALDH1A1KDM4ECA2CA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 US disclosed
US-11331369-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2022-05-17 US disclosed
US-20200282016-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2020-09-10 US disclosed
US-9975893-B2 Pyrazolo[3,4-c]pyridine derivatives CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2018-05-22 US disclosed
US-9975893-B2 Pyrazolo[3,4-c]pyridine derivatives CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2018-05-22 US disclosed
US-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-10-12 US disclosed
US-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-10-12 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9493461-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
US-9242998-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150368265-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME LLC 2015-12-24 US disclosed
US-20150368246-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2015-12-24 US disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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 (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-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES F11, TFPI, F2 ALDH1A1 2886/4885KDM4E 3150/4885APOBEC3A 3076/4885
US-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 ALDH1A1 3102/4885KDM4E 3941/4885APOBEC3A 2087/4885
US-20200282016-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 ALDH1A1 3102/4885KDM4E 3941/4885APOBEC3A 2087/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 ALDH1A1 3102/4885KDM4E 3941/4885APOBEC3A 2087/4885
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP ALDH1A1 1530/4885KDM4E 4181/4885APOBEC3A 4744/4885
US-20150368246-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 ALDH1A1 650/4885KDM4E 3495/4885APOBEC3A 2169/4885
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885KDM4E 1770/4885APOBEC3A 2142/4885
US-11331369-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 ALDH1A1 3102/4885KDM4E 3941/4885APOBEC3A 2087/4885
US-20150368265-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 ALDH1A1 658/4885KDM4E 3736/4885APOBEC3A 2314/4885

“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.