SCHEMBL16484604

SCHEMBL16484604

c1ccc(N(c2ccccc2)c2cccc(-c3cc4ccccc4cn3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 3/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
BTK Q06187 1/20 0.39
CYP2A6 P11509 1/20 0.38
PDPK1 O15530 1/20 0.38
NPY5R Q15761 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL24229511 0.83 NPC1 (0.62) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL18858325 0.83 IDO1 (0.43) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL128015 0.81 NPC1 (0.54) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL29838915 0.80 NPC1 (0.67) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL29493150 0.80 NPC1 (0.67) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL729768 0.80 NPC1 (0.67) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL17952949 0.80 HSD17B1 (0.53) IDO1TDO2HSD17B1HSD17B2
SCHEMBL12112872 0.80 NPC1 (0.48) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL28880195 0.79 NPC1 (0.65) NPC1RAB9AIDO1TDO2CYP1A2
SCHEMBL18253264 0.78 ASIC3 (0.50) NPC1RAB9ACYP1A2KDM4E

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-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
EP-2907803-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2015-08-19 EP disclosed
WO-2014057874-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT 東レ株式会社 (JP) 2014-04-17 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-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE FMNL1, AFF2, LEF1 NPC1 3688/4885RAB9A 1537/4885IDO1 2942/4885

“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.