SCHEMBL2581435

SCHEMBL2581435

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(C(CC)C(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAOB P27338 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
FFAR1 O14842 5/20 0.35
PPARD Q03181 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34

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
SCHEMBL2466275 0.93 FFAR1 (0.38) MAOBFFAR1PPARDPRKAB2PRKAG1
SCHEMBL2581745 0.91 MGAM (0.36) APPCYP2C19PTGDR2FFAR1PPARD
SCHEMBL2491976 0.83 CHRM1 (0.35) CHRM1KDM4EALDH1A1HSD17B10APP
SCHEMBL2581807 0.82 CHRM1 (0.45) CHRM1PTGDR2MAOBFFAR1PPARD
SCHEMBL2488207 0.82 CHRM1 (0.41) CHRM1KDM4ESMN1; SMN2HSD17B10PTGDR2
SCHEMBL15472265 0.82 CHRM1 (0.43) CHRM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17970287 0.82 CHRM1 (0.41) CHRM1KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL2581522 0.82 MEN1 (0.39) KDM4EALDH1A1FFAR1PPARDPRKAB2
SCHEMBL1135918 0.81 CHRM1 (0.40) CHRM1KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL2458294 0.81 CHRM1 (0.43) CHRM1KDM4EALDH1A1HPGDHSD17B10

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-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 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 (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-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CHRM1 170/4885KDM4E 2224/4885ALDH1A1 858/4885

“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.