SCHEMBL15316050

SCHEMBL15316050

c1ccc(-c2nc3ccccc3n2-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
PDE6D O43924 1/20 0.43
ALDH2 P05091 1/20 0.43

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
SCHEMBL15930289 0.92 ESR1 (0.63) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL16442513 0.91 ESR1 (0.47) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15316107 0.90 PTGER4 (0.44) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15073682 0.89 ESR1 (0.63) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15930283 0.89 ESR1 (0.59) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15930474 0.88 ESR1 (0.56) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15073676 0.86 ESR1 (0.59) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15930395 0.86 ESR1 (0.52) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15073757 0.85 ESR1 (0.58) ESR1ESR2HTTMAPK1ALDH1A1
SCHEMBL15930290 0.83 ESR1 (0.55) ESR1ESR2HTTMAPK1ALDH1A1

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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L ESR1 524/4885ESR2 873/4885HTT 4759/4885

“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.