SCHEMBL13433471

SCHEMBL13433471

O=C1c2ccc(C#Cc3ccccc3)cc2C(=O)N1c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.51
ESR1 P03372 2/20 0.51
NR1H3 Q13133 1/20 0.49
SCN2A Q99250 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL16937189 0.97 GRM5 (0.51) GRM5ESR1NR1H3SCN2ANPC1
SCHEMBL7678431 0.94 ESR1 (0.58) GRM5ESR1NR1H3SCN2AMEN1
SCHEMBL13433467 0.93 GRM5 (0.46) GRM5ESR1NR1H3SCN2ANPC1
SCHEMBL3447114 0.93 GRM5 (0.46) GRM5ESR1NR1H3SCN2ANPC1
SCHEMBL2624619 0.93 GRM5 (0.46) GRM5ESR1NR1H3SCN2AMEN1
SCHEMBL16927161 0.90 GRM5 (0.54) GRM5ESR1SCN2ANPC1RAB9A
SCHEMBL10000450 0.90 MAPK1 (0.53) GRM5ESR1NR1H3MEN1ALDH1A1
SCHEMBL28505830 0.90 ESR1 (0.67) GRM5ESR1NR1H3NPC1RAB9A
SCHEMBL29842698 0.90 ESR1 (0.67) GRM5ESR1NR1H3NPC1RAB9A
SCHEMBL6910583 0.90 KMT2A (0.51) GRM5ESR1NR1H3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 US disclosed
US-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME RAD51, ACTR2, ARID2 GRM5 893/4885ESR1 231/4885NR1H3 1904/4885

“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.