SCHEMBL15913449

SCHEMBL15913449

C(#Cc1ccc(-c2nc3c([nH]2)CCCC3)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMPD3 Q9NY59 1/20 0.44
NPY5R Q15761 5/20 0.43
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
GRM5 P41594 6/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL14153754 0.86 KMT2A (0.54) KMT2AL3MBTL1SMPD3NPY5RTNKS
SCHEMBL6861541 0.86 KMT2A (0.57) KMT2AL3MBTL1SMPD3NPY5RTNKS
SCHEMBL25220187 0.76 SMPD3 (0.49) KMT2AL3MBTL1SMPD3NPY5RTNKS
SCHEMBL14153752 0.76 SMPD3 (0.49) KMT2AL3MBTL1SMPD3NPY5RTNKS
SCHEMBL11844688 0.73 TNKS2 (0.50) KMT2AL3MBTL1SMPD3TNKSPARP1
SCHEMBL31288988 0.68 ALDH1A1 (0.49) L3MBTL1SMPD3NPY5RPARP1KDM4E
SCHEMBL22408471 0.68 ALDH1A1 (0.49) L3MBTL1SMPD3NPY5RPARP1KDM4E
SCHEMBL1032502 0.68 TNKS2 (0.68) KMT2AL3MBTL1TNKSPARP1WNT3A
SCHEMBL12492799 0.66 PDCD1 (0.68) KMT2AL3MBTL1NPY5RKDM4EALDH1A1
SCHEMBL8319716 0.66 PDCD1 (0.53) KMT2AL3MBTL1NPY5RKDM4EALDH1A1

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-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 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-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 KMT2A 2480/4885L3MBTL1 3739/4885SMPD3 2019/4885

“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.