SCHEMBL954785

SCHEMBL954785

OC(c1cccc(-c2ccccc2)n1)(c1cccc(N(c2ccccc2)c2ccccc2)n1)c1cccc(N(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
ASIC3 Q9UHC3 1/20 0.38
KAT6A Q92794 1/20 0.35
CETP P11597 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
DUSP10 Q9Y6W6 1/20 0.32

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
SCHEMBL954531 0.81 SMN1; SMN2 (0.33) ALDH1A1HPGDSMN1; SMN2L3MBTL1POLB
SCHEMBL5115890 0.79 MEN1 (0.59) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL5115896 0.79 MEN1 (0.58) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL13810749 0.77 MEN1 (0.56) MEN1KMT2ARAB9AASIC3KAT6A
SCHEMBL13670532 0.73 MEN1 (0.34) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL5109003 0.73 TDP1 (0.42) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL5115440 0.73 RAB9A (0.46) MEN1KMT2ARAB9AASIC3CETP
SCHEMBL954180 0.73 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL13231072 0.72 MEN1 (0.44) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL14655723 0.71 MEN1 (0.47) MEN1KMT2ARAB9AASIC3ALDH1A1

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-8617723-B2 Metal complexes MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
US-20110012100-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-01-20 US disclosed
EP-2254896-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009118087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-01 WO 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-20110012100-A1 METAL COMPLEXES AP1M1, AP3M1, SOD1 MEN1 385/4885KMT2A 4013/4885RAB9A 2444/4885

“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.