SCHEMBL4510744

SCHEMBL4510744

CCOC(=O)c1cc(F)c(N2CCCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ALDH1A1 P00352 10/20 0.54
MAPT P10636 7/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 5/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
GPR174 Q9BXC1 1/20 0.51
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4514694 0.81 ALDH1A1 (0.48) TSHRALDH1A1MAPTHTTHPGD
SCHEMBL6798131 0.79 ALDH1A1 (0.50) TSHRALDH1A1MAPTHTTHPGD
SCHEMBL28965417 0.79 ALDH1A1 (0.58) TSHRALDH1A1MAPTHPGDKDM4E
SCHEMBL4508521 0.79 MAPT (0.52) TSHRALDH1A1MAPTHTTHPGD
SCHEMBL31052711 0.79 ALDH1A1 (0.58) TSHRALDH1A1MAPTHPGDKDM4E
SCHEMBL364335 0.78 TSHR (0.53) TSHRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL23701351 0.76 MEN1 (0.56) TSHRALDH1A1MAPTHTTHPGD
SCHEMBL4515184 0.76 PIM1 (0.44) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL32659736 0.76 KDM4E (0.81) TSHRALDH1A1HTTHPGDKDM4E
SCHEMBL13713588 0.75 OPRK1 (0.42) ALDH1A1MAPTHTTHPGDKDM4E

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 9 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
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 TSHR 1500/4885ALDH1A1 2259/4885MAPT 4806/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS TSHR 1599/4885ALDH1A1 2203/4885MAPT 4805/4885

“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.