SCHEMBL4659691

SCHEMBL4659691

CCc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 4/20 0.45
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD3 P35462 1/20 0.43
TOP1 P11387 3/20 0.43
BRD4 O60885 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3CG P48736 2/20 0.42

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
SCHEMBL9443624 0.89 LMNA (0.46) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4659801 0.87 ALDH1A1 (0.54) KDM4EMAPTLMNAKMT2AHPGD
SCHEMBL9126186 0.83 LMNA (0.53) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL9045221 0.81 ALDH1A1 (0.46) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL2087613 0.81 LMNA (0.53) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL27346530 0.80 ALDH1A1 (0.55) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL9443626 0.78 LMNA (0.55) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL8094811 0.78 LMNA (0.63) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL9443566 0.78 LMNA (0.54) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL31683747 0.78 LMNA (0.63) KDM4ELMNAMEN1KMT2AHPGD

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 KDM4E 3010/4885MAPT 1863/4885LMNA 3881/4885
US-20080176897-A1 Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof GABRB2, GABRB1, GABRB3 KDM4E 3010/4885MAPT 1863/4885LMNA 3881/4885

“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.