SCHEMBL3979876

SCHEMBL3979876

C(=N/Nc1ccccc1)\c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
NOX1 Q9Y5S8 1/20 0.49
MAPT P10636 10/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GAA P10253 5/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
NPC1 O15118 4/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3979881 1.00 CYP2A6 (0.50) CYP2A6NOX1MAPTMEN1KMT2A
SCHEMBL6503765 0.79 BIRC5 (0.42) CYP2A6MAPTMEN1KMT2AALDH1A1
SCHEMBL25074392 0.75 CYP2A6 (0.41) CYP2A6MAPTMEN1KMT2AALDH1A1
SCHEMBL4917815 0.74 CYP2A6 (0.58) CYP2A6MAPTMEN1KMT2AHPGD
SCHEMBL533466 0.74 CYP2A6 (0.58) CYP2A6MAPTMEN1KMT2AALDH1A1
SCHEMBL16693057 0.74 CYP2A6 (0.58) CYP2A6MAPTMEN1KMT2AALDH1A1
SCHEMBL3066581 0.69 NPC1 (0.62) NOX1MAPTMEN1KMT2AALDH1A1
SCHEMBL3066579 0.69 NPC1 (0.62) NOX1MAPTMEN1KMT2AALDH1A1
SCHEMBL1176914 0.68 CYP2A6 (0.60) CYP2A6MAPTMEN1KMT2AALDH1A1
SCHEMBL31429974 0.68 NOX1 (0.63) NOX1MAPTMEN1KMT2AALDH1A1

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-7534541-B2 Heterocycle-hydrazone based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-20060166118-A1 Heterocycle-hydrazone based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-07-27 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-20060166118-A1 Heterocycle-hydrazone based charge transport materials AQP1, SLC9B2, SLC9A2 CYP2A6 2627/4885NOX1 857/4885MAPT 4672/4885

“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.