SCHEMBL16716630

SCHEMBL16716630

Cc1ccccc1-c1nc(-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)cc5)ccc3C4(C)C)cc2)nc(-c2ccccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H4 Q96RI1 3/20 0.39
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
TSHR P16473 1/20 0.38
S1PR1 P21453 2/20 0.38

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
SCHEMBL16785906 0.97 L3MBTL1 (0.41) NPC1SMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL16716644 0.92 NR1H4 (0.41) NPC1SMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL16716629 0.92 NR1H4 (0.40) NPC1SMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL16716622 0.86 MEN1 (0.47) NPC1SMN1; SMN2RAB9AHSD17B10MAPT
SCHEMBL27391140 0.85 RXRA (0.40) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL23697401 0.85 MEN1 (0.44) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL18878285 0.85 MEN1 (0.44) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL31664378 0.85 MEN1 (0.44) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL17151700 0.85 MEN1 (0.44) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL17887165 0.85 MEN1 (0.44) NPC1SMN1; SMN2RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882146-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-9882146-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-9391281-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-07-12 US disclosed
US-9391281-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-07-12 US disclosed
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2015-06-11 US disclosed
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2015-06-11 US disclosed
EP-2873667-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG Chem, Ltd. (KR) 2015-05-20 EP 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 (2 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-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 NPC1 2492/4885SMN1; SMN2 563/4885CYP1A2 649/4885
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 NPC1 2492/4885SMN1; SMN2 563/4885CYP1A2 649/4885

“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.