SCHEMBL6677243

SCHEMBL6677243

CC(C#N)(COc1ccccc1Cl)C(=O)O.NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.42
MAOB P27338 2/20 0.41
AR P10275 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GRIN2B Q13224 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
RORC P51449 1/20 0.36
SSTR4 P31391 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6660065 0.84 AR (0.46) ARHPGDRXRARXRBSSTR4
SCHEMBL21387092 0.78 MRGPRX4 (0.46) MRGPRX4ARHDAC6HPGDSSTR4
SCHEMBL12571064 0.78 MRGPRX4 (0.46) MRGPRX4ARHDAC6HPGDSSTR4
SCHEMBL14433980 0.71 KCNJ5 (0.45) MRGPRX4L3MBTL1SSTR4HTT
SCHEMBL6655948 0.71 NPC1 (0.45) ARHPGDMAPTSSTR4
Benzene SCHEMBL28007808 0.69 CES2 (0.61) MAOBGRIN2BL3MBTL1MAPTTDP1
SCHEMBL21748887 0.68 SSTR4 (0.55) HPGDRXRARXRBSSTR4HTT
SCHEMBL21748810 0.68 SSTR4 (0.53) HPGDRXRARXRBMAPTTDP1
Water SCHEMBL27804326 0.67 CES2 (0.64) MAOB
SCHEMBL5511674 0.67 AR (0.46) ARHPGDRXRARXRBL3MBTL1

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-20040242913-A1 Organic compounds DUCRAY PIERRE (FR) 2004-12-02 US disclosed
EP-1436250-A1 CYANOACETYL COMPOUNDS Novartis AG (CH) 2004-07-14 EP disclosed
WO-2003031394-A1 ORGANIC COMPOUNDS NOVARTIG AG (CH) 2003-04-17 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-20040242913-A1 Organic compounds CYP1B1, BCL2A1, CYP1A1 MRGPRX4 416/4885MAOB 190/4885AR 6/4885

“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.