SCHEMBL13046403

SCHEMBL13046403

CC(C)(C)CCCNC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PAOX Q6QHF9 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
REN P00797 1/20 0.33
MLYCD O95822 1/20 0.33
EPHX1 P07099 2/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL14003762 0.93 KDM4E (0.39) MAOAMAOBKDM4EMAPK1HIF1A
SCHEMBL6562473 0.86 SIGMAR1 (0.43) SIGMAR1TSHRTDP1MLYCD
SCHEMBL21678029 0.84 GRM4 (0.35) MAOAMAOBKDM4EMAPK1HIF1A
Hydrochloric Acid SCHEMBL29537198 0.84 SIGMAR1 (0.42) SIGMAR1TSHRTDP1MLYCD
SCHEMBL13046416 0.83 MAOA (0.34) MAOAMAOBKDM4EMAPK1HIF1A
SCHEMBL14592839 0.83 GAA (0.46) MAOAMAOBKDM4EMAPK1HIF1A
SCHEMBL13068775 0.83 TDP1 (0.39) MAOAMAOBKDM4EMAPK1HIF1A
SCHEMBL13046404 0.81 EPHX1 (0.50) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL24395222 0.81 ACLY (0.46) MAOAMAOBMEN1KMT2ASMN1; SMN2
SCHEMBL1455221 0.79 ARG1 (0.50) MAOAMAOBKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346965-A1 ENEDIYNE CONJUGATES SYNAFFIX B.V. (NL) 2023-11-02 US disclosed
US-20230330245-A1 ANTIBODY-EXATECAN CONJUGATES SYNAFFIX B.V. (NL) 2023-10-19 US disclosed
US-20230330245-A1 ANTIBODY-EXATECAN CONJUGATES SYNAFFIX B.V. (NL) 2023-10-19 US disclosed
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-9845339-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9760006-B2 Silicon-containing resist underlayer film forming composition having urea group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-12 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20150249012-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON CONTAINING CYCLIC ORGANIC GROUP HAVING HETERO ATOM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-03 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20100291487-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM FORMING COMPOSITION HAVING UREA GROUP NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-11-18 US disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAOA 3806/4885MAOB 3387/4885KDM4E 1253/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAOA 3806/4885MAOB 3387/4885KDM4E 1253/4885
US-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP MAOA 3730/4885MAOB 3423/4885KDM4E 3848/4885
US-20230346965-A1 ENEDIYNE CONJUGATES ENY2, ZYX, TPD52L2 MAOA 2788/4885MAOB 2185/4885KDM4E 3559/4885
US-20230330245-A1 ANTIBODY-EXATECAN CONJUGATES ERBB3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL23R MAOA 3251/4885MAOB 3642/4885KDM4E 2253/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAOA 3806/4885MAOB 3387/4885KDM4E 1253/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L MAOA 3511/4885MAOB 3221/4885KDM4E 1185/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAOA 3806/4885MAOB 3387/4885KDM4E 1253/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L MAOA 3806/4885MAOB 3387/4885KDM4E 1253/4885

“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.