SCHEMBL4511214

SCHEMBL4511214

CC(C)(C)OC(=O)NC(Cc1ccccc1)C1(O)CCNC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.45
KLK5 Q9Y337 2/20 0.44
AKT1 P31749 1/20 0.41
KMT2A Q03164 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL2348792 0.93 ATM (0.50) ATMCTSSCTSKCTSLCTSB
SCHEMBL2281947 0.87 ATM (0.48) ATMCTSSCTSKCTSLCTSB
SCHEMBL4517498 0.85 ATM (0.47) ATMCTSSCTSKCTSLCTSB
SCHEMBL4502732 0.83 ATM (0.45) ATMCTSSCTSKCTSLCTSB
SCHEMBL7269676 0.76 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL28921896 0.75 ATM (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL3803942 0.75 ATM (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL3601379 0.75 PPARG (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL2281019 0.74 ATM (0.41) ATMKMT2AALDH1A1
SCHEMBL2340860 0.74 CA1 (0.39) ATMCTSSCTSKCTSLCTSB

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 7 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
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

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 ATM 1648/4885CTSS 2581/4885CTSK 646/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ATM 1662/4885CTSS 2585/4885CTSK 632/4885

“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.