SCHEMBL17817812

SCHEMBL17817812

Brc1ccc(-c2nc3ccccc3s2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 6/20 0.48
KDM4E B2RXH2 6/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
GLA P06280 3/20 0.46
HCRTR1 O43613 1/20 0.46
EGFR P00533 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
S1PR2 O95136 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
SCHEMBL30835012 0.90 NPC1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28592462 0.90 NPC1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL17817815 0.77 KDM4E (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29682812 0.74 MAPT (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7197401 0.74 MAPT (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9018539 0.73 MAPT (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL31530841 0.73 MAPT (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL17817809 0.73 SGMS2 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12797471 0.73 MAPT (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2481443 0.73 KDM4E (0.56) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957260-B2 Organic metal complex, light emitting material, delayed fluorescent material, and organic light emitting device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-01 US disclosed
US-9957260-B2 Organic metal complex, light emitting material, delayed fluorescent material, and organic light emitting device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-01 US disclosed
US-20160185765-A1 ORGANIC METAL COMPLEX, LIGHT EMITTING MATERIAL, DELAYED FLUORESCENT MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE DYDEN CO (JP) 2016-06-30 US disclosed
US-20160185765-A1 ORGANIC METAL COMPLEX, LIGHT EMITTING MATERIAL, DELAYED FLUORESCENT MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE DYDEN CO (JP) 2016-06-30 US disclosed
US-20160185765-A1 ORGANIC METAL COMPLEX, LIGHT EMITTING MATERIAL, DELAYED FLUORESCENT MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE DYDEN CO (JP) 2016-06-30 US disclosed
EP-3031805-A1 ORGANIC METAL COMPLEX, LUMINESCENT MATERIAL, DELAYED PHOSPHOR AND ORGANIC LIGHT EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2016-06-15 EP 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-20160185765-A1 ORGANIC METAL COMPLEX, LIGHT EMITTING MATERIAL, DELAYED FLUORESCENT MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE OR10J3, SOD1, H1-10 NPC1 3750/4885RAB9A 1360/4885MEN1 1777/4885

“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.