SCHEMBL3289241

SCHEMBL3289241

CC(c1ccccc1)N1CCC(C(=O)C(F)(F)F)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.45
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
HSD11B1 P28845 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
P2RX7 Q99572 1/20 0.40
PTPN1 P18031 1/20 0.38
CYP2D6 P10635 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3289245 1.00 KMT2A (0.48) KMT2AMAPK1DPP4DPP7HSD11B1
SCHEMBL892699 0.85 KMT2A (0.57) KMT2AMAPK1HSD11B1HPGDALDH1A1
SCHEMBL6480423 0.83 KMT2A (0.49) KMT2AMAPK1HSD11B1HPGDALDH1A1
SCHEMBL6480416 0.83 KMT2A (0.49) KMT2AMAPK1HSD11B1HPGDALDH1A1
SCHEMBL6491773 0.77 KMT2A (0.46) KMT2AMAPK1DPP4DPP7HSD11B1
SCHEMBL6480173 0.77 KMT2A (0.46) KMT2AMAPK1DPP4DPP7HSD11B1
SCHEMBL6480169 0.77 KMT2A (0.46) KMT2AMAPK1DPP4DPP7HSD11B1
SCHEMBL5629867 0.75 KMT2A (0.48) KMT2AMAPK1HSD11B1HPGDALDH1A1
SCHEMBL5629865 0.75 KMT2A (0.48) KMT2AMAPK1HSD11B1HPGDALDH1A1
SCHEMBL6480190 0.73 KMT2A (0.47) KMT2AMAPK1HSD11B1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR KMT2A 3263/4885MAPK1 2586/4885DPP4 4567/4885
US-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 KMT2A 4774/4885MAPK1 3325/4885DPP4 1802/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 KMT2A 4774/4885MAPK1 3325/4885DPP4 1802/4885

“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.