SCHEMBL15034529

SCHEMBL15034529

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 7/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
GRM5 P41594 2/20 0.44
PLA2G7 Q13093 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
GFER P55789 2/20 0.41
THRB P10828 1/20 0.41
SLC6A7 Q99884 1/20 0.41

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
SCHEMBL15023709 0.93 GRM5 (0.49) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034523 0.92 GRM5 (0.53) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034530 0.92 L3MBTL1 (0.52) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034553 0.92 L3MBTL1 (0.52) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034549 0.91 GRM5 (0.47) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034521 0.90 GRM5 (0.48) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15034557 0.90 POLB (0.46) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034511 0.87 SLC6A7 (0.54) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034522 0.87 GRM5 (0.50) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15034551 0.86 GRM5 (0.51) L3MBTL1MAPTMAPK1ALDH1A1RAB9A

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-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 L3MBTL1 3435/4885MAPT 281/4885MAPK1 1181/4885

“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.