SCHEMBL4501175

SCHEMBL4501175

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
SYK P43405 1/20 0.44
KDM1A O60341 1/20 0.43
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RORC P51449 3/20 0.42
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR1 P32246 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CTSD P07339 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
SCHEMBL4510285 0.87 CTSL (0.45) CTSLSYKKDM1ADPP4KCNH2
SCHEMBL27585759 0.81 RORC (0.42) KDM1ADPP4KCNH2DPP7HDAC3
SCHEMBL4519723 0.81 MEN1 (0.49) KDM1ADPP4KCNH2DPP7HDAC3
SCHEMBL22233957 0.81 KDM1A (0.52) CTSLSYKKDM1AHDAC3HDAC1
SCHEMBL3273006 0.81 KDM1A (0.52) CTSLSYKKDM1ARORCMEN1
SCHEMBL13713165 0.81 CTSL (0.44) CTSLSYKKDM1AHDAC3HDAC1
SCHEMBL13713174 0.80 CTSL (0.46) CTSLSYKHDAC3HDAC1HDAC2
SCHEMBL20669167 0.80 ENPP2 (0.48) CTSLSYKHDAC3HDAC1HDAC2
SCHEMBL20669333 0.80 ENPP2 (0.48) CTSLSYKHDAC3HDAC1HDAC2
SCHEMBL4519414 0.80 KDM1A (0.50) KDM1ADPP4KCNH2DPP7HDAC3

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 6 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
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN 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 CTSL 2848/4885SYK 2601/4885KDM1A 1506/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CTSL 2925/4885SYK 2550/4885KDM1A 1369/4885

“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.