SCHEMBL5771472

SCHEMBL5771472

NCC1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.61
MAOB P27338 12/20 0.54
MAOA P21397 4/20 0.54
CALML3 P27482 2/20 0.54
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
SDHA P31040 1/20 0.54

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
SCHEMBL5771475 1.00 F10 (0.61) F10MAOBMAOACALML3LMNA
SCHEMBL13357836 0.93 MAOB (0.54) F10MAOBMAOACALML3LMNA
SCHEMBL3197103 0.90 F10 (0.65) F10MAOBMAOACALML3LMNA
SCHEMBL6629866 0.90 F10 (0.65) F10MAOBMAOACALML3LMNA
SCHEMBL3523994 0.90 F10 (0.59) F10MAOBMAOACALML3LMNA
SCHEMBL3523989 0.90 F10 (0.59) F10MAOBMAOACALML3LMNA
Tert-Butyl Formate SCHEMBL27604230 0.89 F10 (0.54) F10MAOBMAOACALML3LMNA
Hydrochloric Acid SCHEMBL6610394 0.89 F10 (0.64) F10MAOBMAOACALML3LMNA
Hydrochloric Acid SCHEMBL6610396 0.89 F10 (0.64) F10MAOBMAOACALML3LMNA
SCHEMBL13404010 0.88 F10 (0.58) F10MAOBMAOACALML3LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349853-B1 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2006-03-08 EP disclosed
US-6869965-B2 Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate PHARMACIA & UPJOHN COMPANY (US) 2005-03-22 US disclosed
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents LABORATORIOS VITA, S.A. (ES) 2004-07-29 US disclosed
EP-1401834-A1 NEW DERIVATIVES OF OXAZOLIDINONES AS ANTIBACTERIAL AGENTS LABORATORIOS VITA, S.A. (ES) 2004-03-31 EP disclosed
US-6689769-B2 BACTERICIDES PHARMACIA & UPJOHN COMPANY 2004-02-10 US disclosed
EP-1349853-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS Pharmacia & Upjohn Company (US) 2003-10-08 EP disclosed
US-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2003-01-16 US disclosed
WO-2003002560-A1 NEW DERIVATIVES OF OXAZOLIDINONES AS ANTIBACTERIAL AGENTS LABORATORIOS VITA, S.A. (ES) 2003-01-09 WO disclosed
WO-2002059116-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 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 (3 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-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 F10 3680/4885MAOB 1965/4885MAOA 2041/4885
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents OXA1L, Q6ZSR9, PGC F10 1608/4885MAOB 711/4885MAOA 697/4885
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 F10 3680/4885MAOB 1965/4885MAOA 2041/4885

“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.