SCHEMBL4659798

SCHEMBL4659798

CCOC(=O)c1cn(CCc2ccccc2)c2cc(Cl)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.52
P2RX3 P56373 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.46
GNRHR P30968 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
PIM1 P11309 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 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
SCHEMBL17775886 0.91 P2RX3 (0.60) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL4659687 0.87 LMNA (0.51) POLBALDH1A1KDM4EHPGDLMNA
SCHEMBL11398510 0.86 KMT2A (0.60) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL11067835 0.86 KMT2A (0.60) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL8041564 0.84 POLB (0.69) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL29823822 0.84 POLB (0.69) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL7035140 0.83 KMT2A (0.57) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL20577692 0.82 KMT2A (0.48) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL7041173 0.82 KMT2A (0.56) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL31513796 0.82 NPC1 (0.60) KMT2APOLBP2RX3ALDH1A1KDM4E

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
EP-1503759-B1 SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF UNIV CALIFORNIA (US) 2008-12-17 EP disclosed
US-20080176897-A1 Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof JOHNSTONE TIMOTHY B C 2008-07-24 US disclosed
US-7355047-B2 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-20060178516-A1 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof OXFORD FINANCE CORPORATION 2006-08-10 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 (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-20060178516-A1 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof GABRB2, GABRB1, GABRB3 KMT2A 2709/4885POLB 2636/4885P2RX3 431/4885
US-20080176897-A1 Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof GABRB2, GABRB1, GABRB3 KMT2A 2709/4885POLB 2636/4885P2RX3 431/4885

“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.