SCHEMBL4511360

SCHEMBL4511360

CC(OS(C)(=O)=O)C1(F)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.47
KDM1A O60341 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C19 P33261 1/20 0.41
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ENPP2 Q13822 2/20 0.41
ATXN2 Q99700 2/20 0.41
ACACB O00763 1/20 0.41
OPRD1 P41143 1/20 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
SCHEMBL14160534 0.87 MEN1 (0.47) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL4519414 0.85 KDM1A (0.50) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL4519723 0.84 MEN1 (0.49) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL1182778 0.79 MEN1 (0.56) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL5352131 0.79 KDM1A (0.55) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL27566090 0.78 KDM1A (0.46) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL16224539 0.77 MEN1 (0.53) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL16224385 0.77 MEN1 (0.53) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL7509952 0.77 KDM1A (0.48) RORCKDM1AMEN1KMT2ANPSR1
SCHEMBL31556628 0.76 MEN1 (0.62) RORCKDM1AMEN1KMT2ANPSR1

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 RORC 2906/4885KDM1A 1506/4885MEN1 3683/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS RORC 2901/4885KDM1A 1369/4885MEN1 3666/4885

“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.