SCHEMBL13643281

SCHEMBL13643281

Clc1cc(-c2ccc(-c3ccc4ccccc4n3)cc2)nc2c1cc(-c1cc3ccccc3c3ccccc13)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
AR P10275 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
CYP3A4 P08684 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL13642918 0.91 NPC1 (0.49) NPC1RAB9AARMEN1KMT2A
SCHEMBL13083947 0.85 NPC1 (0.46) NPC1RAB9AARMEN1KMT2A
SCHEMBL13642714 0.85 NPC1 (0.46) NPC1RAB9AARMEN1KMT2A
SCHEMBL13643285 0.84 KDM4E (0.38) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL13643282 0.82 NPC1 (0.46) NPC1RAB9AARMEN1KMT2A
SCHEMBL13643291 0.81 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13643280 0.81 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4HPGDPMP22
SCHEMBL13642982 0.80 NPC1 (0.48) NPC1RAB9AARMEN1KMT2A
SCHEMBL13643022 0.80 NPC1 (0.48) NPC1RAB9AARMEN1KMT2A
SCHEMBL13642856 0.79 ACACA (0.52) NPC1RAB9AARMEN1KMT2A

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.