SCHEMBL16614455

SCHEMBL16614455

Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ncncn3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
NFKB1 P19838 4/20 0.41
RAB9A P51151 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP19A1 P11511 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL16614435 0.89 CLK4 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL29054490 0.88 ALDH1A1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL21018826 0.87 SMN1; SMN2 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL21019138 0.87 NPC1 (0.44) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL28416187 0.86 ALDH1A1 (0.43) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL18909522 0.83 CLK4 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL10109503 0.82 RAB9A (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL17702105 0.82 RAB9A (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL19479339 0.82 RAB9A (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13751264 0.82 RAB9A (0.47) NPC1NFKB1RAB9ANFKB2RELA

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-20190157567-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2019-05-23 US disclosed
WO-2015046982-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-02 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-20190157567-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SLC18A3, L1CAM, TMEM109 NPC1 646/4885NFKB1 3550/4885RAB9A 1173/4885

“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.