SCHEMBL13643282

SCHEMBL13643282

Clc1cc(Cl)c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)c3ccccc3c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
AR P10275 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL13643281 0.82 NPC1 (0.43) NPC1RAB9AARMEN1KMT2A
SCHEMBL13643167 0.81 ACACA (0.52) NPC1RAB9AARMEN1KMT2A
SCHEMBL13642995 0.81 ACACA (0.52) NPC1RAB9AARMEN1KMT2A
SCHEMBL13642856 0.81 ACACA (0.52) NPC1RAB9AARMEN1KMT2A
SCHEMBL13643293 0.81 GSTP1 (0.42) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL13643297 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13643088 0.80 ACACA (0.51) NPC1RAB9AARMEN1KMT2A
SCHEMBL13642798 0.80 ACACA (0.51) NPC1RAB9AARMEN1KMT2A
SCHEMBL13642955 0.80 ACACA (0.51) NPC1RAB9AARMEN1KMT2A
SCHEMBL13643290 0.79 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 NPC1 1529/4885RAB9A 2608/4885AR 3958/4885

“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.