SCHEMBL16159162

SCHEMBL16159162

c1ccc(-n2c3cc(-c4ccc(-c5cnco5)nc4)ccc3c3ccc(-c4ccc(-c5cnco5)nc4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPK8 P45983 3/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16159252 0.88 ROCK2 (0.36) ROCK2CYP11B1CYP11B2MAPK8CYP4F2
SCHEMBL16159849 0.86 CYP11B1 (0.47) CYP11B1CYP11B2MAPK8KDM4EATM
SCHEMBL16159085 0.84 KMT2A (0.48) CYP11B1CYP11B2MAPK8KDM4EATM
SCHEMBL16159241 0.83 ROCK2 (0.43) ROCK2CYP11B1CYP11B2MAPK8KDM4E
SCHEMBL16159212 0.83 ROCK2 (0.43) ROCK2CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL16159696 0.82 CYP11B1 (0.43) CYP11B1CYP11B2MAPK8KDM4EATM
SCHEMBL16159812 0.80 ROCK2 (0.51) ROCK2CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL16159379 0.78 HPGDS (0.42) MAPK8KDM4EATML3MBTL1ALDH1A1
SCHEMBL9973717 0.78 METAP2 (0.45) CYP11B1CYP11B2CHEK1KMT2AMEN1
SCHEMBL16159161 0.78 PIM1 (0.45) KDM4EATML3MBTL1CHEK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 ROCK2 3962/4885CYP11B1 312/4885CYP11B2 420/4885

“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.