SCHEMBL6401392

SCHEMBL6401392

Cc1ccc(N2c3cc4ccccc4cc3N(c3ccc(C)cc3)c3cc4ccccc4cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ELANE P08246 2/20 0.46
F2 P00734 1/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CTRC Q99895 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MGLL Q99685 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HSP90AA1 P07900 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL30076220 1.00 CYP2A6 (0.48) CYP2A6TDP1ELANEF2CTSG
SCHEMBL6405320 0.96 CYP2A6 (0.45) CYP2A6TDP1ELANEF2CTSG
SCHEMBL6400284 0.94 CYP2A6 (0.43) CYP2A6TDP1ELANEF2CTSG
SCHEMBL30076295 0.81 MGLL (0.42) CYP2A6ALDH1A1MGLLMEN1KMT2A
SCHEMBL16281051 0.81 MGLL (0.42) CYP2A6ALDH1A1MGLLMEN1KMT2A
SCHEMBL21272270 0.81 MGLL (0.42) CYP2A6ALDH1A1MGLLMEN1KMT2A
SCHEMBL6400917 0.79 PDE6D (0.43) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL13886640 0.78 FAAH (0.50) TDP1ALDH1A1MGLLMEN1KMT2A
SCHEMBL6404589 0.78 HSP90AA1 (0.52) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL15957978 0.78 CYP2A6 (0.43) CYP2A6TDP1ELANEF2CTSG

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-11407774-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-08-09 US disclosed
US-20190256538-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-08-22 US disclosed
US-6919140-B2 Organic electroluminescent devices with high luminance EASTMAN KODAK COMPANY (US) 2005-07-19 US disclosed
US-20050014018-A1 Organic electroluminescent devices with high luminance EASTMAN KODAK COMPANY 2005-01-20 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 (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-11407774-B2 Polycyclic aromatic compound ETV6, EML4, EBPL CYP2A6 3848/4885TDP1 1817/4885ELANE 197/4885
US-20190256538-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EML4, EBPL CYP2A6 3848/4885TDP1 1817/4885ELANE 197/4885

“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.