SCHEMBL13304752

SCHEMBL13304752

Nc1ccc2cc(/C=C/c3ccncc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
MAPT P10636 5/20 0.62
GFER P55789 1/20 0.62
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP3 P42574 1/20 0.50
ATM Q13315 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP19A1 P11511 6/20 0.48
CYP3A4 P08684 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL18381453 0.88 NPC1 (0.57) NPC1MAPTGFERRAB9AMEN1
SCHEMBL30872347 0.84 NPC1 (0.53) NPC1MAPTGFERRAB9AMEN1
SCHEMBL10892919 0.82 CYP19A1 (0.62) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL1099649 0.82 MAPT (0.61) NPC1MAPTGFERRAB9AMEN1
SCHEMBL10892923 0.82 CYP19A1 (0.62) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL1099648 0.82 MAPT (0.61) NPC1MAPTGFERRAB9AMEN1
SCHEMBL13304744 0.81 RELA (0.70) NPC1MAPTGFERRAB9AMEN1
SCHEMBL29966849 0.81 RELA (0.70) NPC1MAPTGFERRAB9AMEN1
SCHEMBL28889113 0.81 RELA (0.70) NPC1MAPTGFERRAB9AMEN1
SCHEMBL3163586 0.81 RELA (0.70) NPC1MAPTGFERRAB9AMEN1

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-8829783-B2 Trinaphthyl monoamine or derivative thereof, organic electroluminescent device using the same, and organic electroluminescent material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2014-09-09 US disclosed
US-20100156285-A1 TRINAPHTHYL MONOAMINE OR DERIVATIVE THEREOF, ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 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-20100156285-A1 TRINAPHTHYL MONOAMINE OR DERIVATIVE THEREOF, ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION MAOA, COMT, MAOB NPC1 4787/4885MAPT 194/4885GFER 1706/4885

“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.