SCHEMBL131636

SCHEMBL131636

O=C1[N]NC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
CASP3 P42574 2/20 0.43
CASP2 P42575 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
LMNA P02545 6/20 0.42
KDM4E B2RXH2 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CDC25B P30305 3/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL20504712 0.76 GSK3B (0.44) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL334824 0.76 GSK3B (0.44) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL1068870 0.76 MAOA (0.41) GSK3BLMNAKDM4ETDP1KMT2A
SCHEMBL6476007 0.76 MAOA (0.41) GSK3BLMNAKDM4ETDP1KMT2A
SCHEMBL8425345 0.68 CASP3 (0.45) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL8427493 0.68 MAOA (0.48) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL112133 0.68 MEN1 (0.50) GSK3BCASP3LMNAKDM4ETDP1
Phthalimide SCHEMBL11040503 0.68 GSK3B (1.00) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL29714477 0.68 MEN1 (0.50) GSK3BCASP3LMNAKDM4ETDP1
SCHEMBL19888 0.68 MEN1 (0.50) GSK3BCASP3LMNAKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2023-04-25 US claimed
EP-3186227-B1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS ELANCO TIERGESUNDHEIT AG (CH) 2021-03-24 EP claimed
US-20200196607-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-06-25 US claimed
EP-3578543-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP claimed
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
EP-3283459-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-02-21 EP claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP claimed
US-9781935-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US claimed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP claimed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP claimed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US claimed
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US claimed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US claimed
EP-0467938-A1 ASSAYS USING ALBUMIN-TETRAZOLIUM INTERACTION The Public Health Laboratory Service Board (GB) 1992-01-29 EP claimed
WO-1990012318-A1 ASSAYS USING ALBUMIN-TETRAZOLIUM INTERACTION PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1990-10-18 WO claimed

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-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD GSK3B 425/4885CASP3 770/4885CASP2 1717/4885
US-20050065144-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GSK3B 765/4885CASP3 1038/4885CASP2 1610/4885
US-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GSK3B 854/4885CASP3 1132/4885CASP2 1830/4885
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA GSK3B 1571/4885CASP3 1582/4885CASP2 1436/4885
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 GSK3B 454/4885CASP3 1791/4885CASP2 1442/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GSK3B 854/4885CASP3 1132/4885CASP2 1830/4885
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GSK3B 172/4885CASP3 1111/4885CASP2 1464/4885
US-20200196607-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD GSK3B 425/4885CASP3 770/4885CASP2 1717/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 GSK3B 201/4885CASP3 1139/4885CASP2 2121/4885

“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.