SCHEMBL4515874

SCHEMBL4515874

CC1CNCC1CNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
DRD2 P14416 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HCRTR2 O43614 1/20 0.35
ACACB O00763 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL27341396 1.00 KMT2A (0.41) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL4515883 1.00 KMT2A (0.41) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL4515878 1.00 KMT2A (0.41) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL4641778 0.91 TDP1 (0.43) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL4641773 0.91 TDP1 (0.43) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL29248620 0.91 TDP1 (0.43) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL4641768 0.91 TDP1 (0.43) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL8223538 0.88 CHRM1 (0.42) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL22460232 0.88 CHRM1 (0.42) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL12216488 0.88 CHRM1 (0.42) KMT2AMEN1GAAEPHX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 WO disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
US-5659038-A GRAMPOSITIVE/GRAMNEGATIVE MICROBIOCIDES; ANTISEPTICS, HUMAN AND VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0523512-B1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1997-01-15 EP disclosed
US-5578604-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
EP-0683169-A1 8-Amino-pyrido 1,2,3-de 1,3,4 benzoxadiazine derivatives, and antibacterial agents containing them BAYER AG (DE) 1995-11-22 EP disclosed
US-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 EP disclosed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 EP 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 (2 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 KMT2A 1288/4885MEN1 3683/4885GAA 3489/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KMT2A 1212/4885MEN1 3666/4885GAA 3486/4885

“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.