SCHEMBL10457122

SCHEMBL10457122

Brc1ccc(N(c2ccc3ccccc3n2)c2ccc3ccccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.52
▸ MAPT P10636 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 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
SCHEMBL10457121 0.89 NPC1 (0.46) NCF1MAPTRAB9ANPC1MAPK1
SCHEMBL14026576 0.82 NCF1 (0.52) NCF1MAPTRAB9ANPC1MAPK1
SCHEMBL16484770 0.81 NCF1 (0.59) NCF1MAPTRAB9ANPC1KDM4E
SCHEMBL12014904 0.80 NCF1 (0.68) NCF1MAPTRAB9ANPC1KDM4E
SCHEMBL13250585 0.74 NCF1 (0.50) NCF1MAPTRAB9ANPC1KDM4E
SCHEMBL27879098 0.72 NCF1 (0.63) NCF1MAPTRAB9ANPC1KDM4E
SCHEMBL13250578 0.72 NCF1 (0.49) NCF1MAPTRAB9ANPC1KDM4E
SCHEMBL13231053 0.71 NCF1 (0.44) NCF1MAPTRAB9ANPC1KDM4E
Water SCHEMBL27879054 0.71 NCF1 (0.61) NCF1MAPTRAB9ANPC1KDM4E
Water SCHEMBL27895885 0.71 NCF1 (0.61) NCF1MAPTRAB9ANPC1KDM4E

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-8222634-B2 Anthracene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-07-17 — — US disclosed
US-8222634-B2 Anthracene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-07-17 — — US disclosed
US-20110024725-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-02-03 — — US disclosed
US-20110024725-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-02-03 — — 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-20110024725-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC3, ANXA1 NCF1 2773/4885MAPT 3421/4885RAB9A 3509/4885

“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.

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