SCHEMBL4501178

SCHEMBL4501178

CC(C)(C)OC(=O)NCCC1(F)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
SYK P43405 1/20 0.44
IDO1 P14902 1/20 0.43
HTT P42858 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
RORC P51449 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL3273006 0.91 KDM1A (0.52) KDM1ANPFFR1NPFFR2SIGMAR1SYK
SCHEMBL21631394 0.87 KDM1A (0.59) KDM1ANPFFR1NPFFR2SIGMAR1SYK
SCHEMBL20913878 0.87 ITGB3 (0.43) SYKHTTMEN1KMT2ASMN1; SMN2
SCHEMBL19448421 0.87 ITGB3 (0.43) SYKHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4510289 0.85 HTT (0.44) NPFFR1NPFFR2SIGMAR1SYKIDO1
SCHEMBL23579283 0.83 HTT (0.48) KDM1ANPFFR1NPFFR2SIGMAR1SYK
SCHEMBL3273406 0.82 KDM1A (0.47) KDM1ANPFFR1NPFFR2SIGMAR1SYK
SCHEMBL31066378 0.82 SYK (0.43) NPFFR1NPFFR2SIGMAR1SYKIDO1
SCHEMBL22233957 0.81 KDM1A (0.52) KDM1ASIGMAR1SYKHTTMEN1
SCHEMBL14861205 0.81 SIGMAR1 (0.55) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM1A 1506/4885NPFFR1 781/4885NPFFR2 828/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KDM1A 1369/4885NPFFR1 785/4885NPFFR2 873/4885

“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.