SCHEMBL7865780

SCHEMBL7865780

CS/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31
MIF P14174 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL133918 1.00 KMT2A (0.33) KMT2ANFKB1NFKB2RELATDP1
SCHEMBL206812 1.00 KMT2A (0.33) KMT2ANFKB1NFKB2RELATDP1
Sulfuric Acid SCHEMBL28494040 0.94 CA12 (0.33) KMT2ATDP1MAOAMAOBCA1
SCHEMBL2342887 0.86 KMT2A (0.33) KMT2ANFKB1NFKB2RELATDP1
SCHEMBL21359614 0.86 DGAT1 (0.31) DGAT1
SCHEMBL2823978 0.86 KMT2A (0.33) KMT2ANFKB1NFKB2RELATDP1
SCHEMBL2342888 0.86 KMT2A (0.33) KMT2ANFKB1NFKB2RELATDP1
SCHEMBL21359615 0.86 DGAT1 (0.31) DGAT1
SCHEMBL15177020 0.84 KMT2A (0.33) KMT2ANFKB1NFKB2RELATDP1
SCHEMBL14535778 0.84 APLNR (0.38) KMT2ATDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
US-10004702-B2 Linear guanidine derivatives, methods of preparation and uses thereof LEAD DISCOVERY SIENA S.R.L. (IT) 2018-06-26 US disclosed
EP-3189060-B1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PF MEDICAMENT (FR) 2018-06-20 EP disclosed
EP-2831075-B1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2017-11-08 EP disclosed
US-20090023931-A1 ALANINE RACEMASE CHIRAL BINAPHTHOL DERIVATIVE WITH POWERFUL HYDROGEN BOND DONOR, AND OPTICAL RESOLUTION AND OPTICAL TRANSFORMATION METHODS USING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2009-01-22 US disclosed
US-7368605-B2 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-06 US disclosed
US-7368605-B2 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-06 US disclosed
WO-2008037463-A2 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS BOTTI PAOLO (CH) 2008-04-03 WO disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 WO disclosed
US-6300321-B1 LIPOPOLYAMINES AVENTIS PHARMA S.A. (FR) 2001-10-09 US disclosed
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 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 (8 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 KMT2A 1583/4885NFKB1 1445/4885NFKB2 1446/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 KMT2A 1583/4885NFKB1 1445/4885NFKB2 1446/4885
US-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE TMPRSS15, DPP8, SI KMT2A 2608/4885NFKB1 1533/4885NFKB2 3408/4885
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT KMT2A 1167/4885NFKB1 2003/4885NFKB2 2431/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 KMT2A 4297/4885NFKB1 1627/4885NFKB2 1702/4885
US-10004702-B2 Linear guanidine derivatives, methods of preparation and uses thereof GMPS, CGAS, GDA KMT2A 4125/4885NFKB1 1681/4885NFKB2 2524/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 KMT2A 1583/4885NFKB1 1445/4885NFKB2 1446/4885
US-20090023931-A1 ALANINE RACEMASE CHIRAL BINAPHTHOL DERIVATIVE WITH POWERFUL HYDROGEN BOND DONOR, AND OPTICAL RESOLUTION AND OPTICAL TRANSFORMATION METHODS USING THE SAME ALAD, BCAT1, BCAT2 KMT2A 3866/4885NFKB1 3396/4885NFKB2 2855/4885

“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.