SCHEMBL12514331

SCHEMBL12514331

Cc1ccccc1N1CN(c2ccccc2)c2cc3ccccc3cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ADRB1 P08588 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
C1S P09871 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MYC P01106 1/20 0.34
AKR1C3 P42330 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL12514329 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDADRB1DDB1
SCHEMBL12787331 0.86 SIGMAR1 (0.41) ALDH1A1SMN1; SMN2DDB1CRBNMAPT
SCHEMBL16711539 0.81 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDADRB1DDB1
SCHEMBL18964726 0.80 NPC1 (0.48) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL22447052 0.74 SIGMAR1 (0.52) ALDH1A1ADRB1DDB1CRBNMAPT
SCHEMBL12153468 0.73 SIGMAR1 (0.48) SMN1; SMN2HPGDDDB1CRBNMAPT
SCHEMBL30261935 0.73 SIGMAR1 (0.48) SMN1; SMN2HPGDDDB1CRBNMAPT
SCHEMBL24526126 0.73 NOS3 (0.37) ALDH1A1SMN1; SMN2HPGDDDB1CRBN
SCHEMBL18532156 0.72 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2HPGDADRB1DDB1
SCHEMBL45191 0.72 SIGMAR1 (0.43) ALDH1A1SMN1; SMN2HPGDDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284278-B2 Electroluminescent metal complex BASF SE (DE) 2016-03-15 US disclosed
US-8734963-B2 Complex salts BASF SE (DE) 2014-05-27 US disclosed
EP-2139907-B1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2013-08-14 EP disclosed
EP-2337786-B1 COMPLEX SALTS BASF SE (DE) 2013-08-14 EP disclosed
US-20110177630-A1 COMPLEX SALTS BASF SE (DE) 2011-07-21 US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
WO-2009087064-A1 ELECTROLUMINESCENT IONIC HOST-GUEST DENDRITIC MATERIALS BASF SE (DE) 2009-07-16 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 (2 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-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX LDHA, LDHB, NRP1 ALDH1A1 233/4885SMN1; SMN2 1608/4885HPGD 2388/4885
US-20110177630-A1 COMPLEX SALTS NCLN, AP3M1, AP2M1 ALDH1A1 3608/4885SMN1; SMN2 3511/4885HPGD 4661/4885

“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.