SCHEMBL4519723

SCHEMBL4519723

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM1A O60341 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RORC P51449 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP2C19 P33261 1/20 0.46
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
ACACB O00763 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL4519414 0.89 KDM1A (0.50) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL14160534 0.88 MEN1 (0.47) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL1182778 0.84 MEN1 (0.56) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL4511360 0.84 RORC (0.47) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL27566090 0.83 KDM1A (0.46) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL16224539 0.82 MEN1 (0.53) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL16224385 0.82 MEN1 (0.53) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL31556628 0.82 MEN1 (0.62) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL26641483 0.81 MEN1 (0.53) MEN1KMT2ANPSR1KDM1ASMN1; SMN2
SCHEMBL4501175 0.81 CTSL (0.46) MEN1KMT2ANPSR1KDM1ASMN1; SMN2

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 8 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
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 MEN1 3683/4885KMT2A 1288/4885NPSR1 1093/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS MEN1 3666/4885KMT2A 1212/4885NPSR1 1165/4885

“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.