SCHEMBL80362

SCHEMBL80362

CC1(C)c2ccccc2-c2nc(-c3ccc4c(n3)-c3cc(-c5ccc6ccccc6n5)ccc3C4(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.45
RAB9A P51151 11/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
AR P10275 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL80784 0.93 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL82031 0.91 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL80817 0.91 KMT2A (0.33) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL81594 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL81212 0.88 MAOB (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL82134 0.88 KMT2A (0.33) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL82098 0.88 RARB (0.35) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL80301 0.87 KMT2A (0.34) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL81231 0.87 KMT2A (0.34) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL81689 0.85 RARA (0.33) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 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-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 NPC1 4088/4885RAB9A 2655/4885SMN1; SMN2 4373/4885

“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.