SCHEMBL4022702

SCHEMBL4022702

COc1c(N2CCC(C)C(N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12.F[B]F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.70
CYP3A4 P08684 1/20 0.57
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
POLB P06746 3/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
OPRM1 P35372 2/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
LMNA P02545 2/20 0.48
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.43

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
SCHEMBL1004220 0.96 KCNH2 (0.74) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL4480999 0.96 KCNH2 (0.74) KCNH2CYP3A4KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4020459 0.96 KCNH2 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
Fluoride SCHEMBL4022696 0.95 KCNH2 (0.72) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL23298399 0.88 CYP3A4 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL30045335 0.88 CYP3A4 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL23275438 0.88 CYP3A4 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL4026818 0.87 KCNH2 (0.68) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL4462127 0.85 KCNH2 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL1003417 0.85 KCNH2 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 KCNH2 1112/4885CYP3A4 185/4885KDM4E 2599/4885

“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.