SCHEMBL4253497

SCHEMBL4253497

CCOC(=O)c1cc(C(F)(F)F)c[n+]([O-])c1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 6/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38

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
SCHEMBL8659593 0.80 TSHR (0.46) KDM4ETSHRMAPTMEN1KMT2A
SCHEMBL5444455 0.75 MAPT (0.45) MRGPRX4KDM4EMAPTTP53MEN1
SCHEMBL31419155 0.75 KDM4E (0.44) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8317808 0.74 SMN1; SMN2 (0.49) MAPTHSP90AA1NPC1SMN1; SMN2ALDH1A1
SCHEMBL20952118 0.73 KDM4E (0.43) MRGPRX4KDM4ETSHRMAPTTP53
SCHEMBL30114644 0.73 KDM4E (0.43) MRGPRX4KDM4ETSHRMAPTTP53
SCHEMBL31214163 0.73 NOTUM (0.43) MAPTNPC1SMN1; SMN2
SCHEMBL10566215 0.73 MRGPRX4 (0.49) MRGPRX4KDM4ETSHRMAPTMEN1
SCHEMBL7112918 0.72 KDM4E (0.47) KDM4ETSHRMAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL7107456 0.72 KDM4E (0.51) MRGPRX4KDM4ETSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MRGPRX4 107/4885KDM4E 1438/4885TSHR 289/4885

“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.