SCHEMBL3869645

SCHEMBL3869645

COc1cc(F)c2ncc(C(=O)O)c(O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3272184 0.85 LMNA (0.41) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL4652568 0.83 DPP4 (0.50) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6197857 0.81 KDM4E (0.39) KDM4EALDH1A1GAAASPHKDM8
SCHEMBL6199950 0.81 KDM4E (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6083555 0.80 KDM4E (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27471079 0.78 TET2 (0.40) KDM4EHPGDHSD17B10ASPHKDM8
SCHEMBL21836559 0.76 ALOX5AP (0.39) KDM4EALDH1A1HPGDHSD17B10ASPH
SCHEMBL3965438 0.76 SLC2A1 (0.47) KDM4E
SCHEMBL6201203 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10ASPH
SCHEMBL6148137 0.74 LMNA (0.65) LMNAKDM4EALDH1A1POLBHPGD

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
EP-1687276-B1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2009-10-14 EP disclosed
CN-100537540-C Process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2009-09-09 CN disclosed
US-7396934-B2 Process for preparing 3-fluoroquinolines NOVEXEL (FR) 2008-07-08 US disclosed
CN-1894216-A Novel process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
EP-1687276-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2006-08-09 EP disclosed
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound AVENTIS PHARMA S.A. (US) 2005-08-18 US disclosed
WO-2005049575-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2005-06-02 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 (1 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-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound QRFPR, NQO2, DHX35 LMNA 4268/4885KDM4E 2535/4885ALDH1A1 2137/4885

“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.