SCHEMBL13487452

SCHEMBL13487452

Cc1ccc2c(-c3cnc4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.39
MAPT P10636 6/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX12 P18054 1/20 0.35
MAPK10 P53779 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 7/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
BCHE P06276 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL13487834 0.95 NPC1 (0.40) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487773 0.91 NPC1 (0.38) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487519 0.90 NPC1 (0.37) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487607 0.88 NPC1 (0.36) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487668 0.88 NPC1 (0.36) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13488135 0.87 NPC1 (0.40) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487439 0.87 AR (0.37) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487453 0.87 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13487060 0.85 MEN1 (0.36) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13487462 0.85 NQO2 (0.37) NPC1MAPTKMT2AMEN1ALDH1A1

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 NPC1 1139/4885MAPT 2219/4885KMT2A 3530/4885

“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.