SCHEMBL17704397

SCHEMBL17704397

c1cc(-c2cnco2)nc(-c2c3ccccc3c(-c3cccc(-c4cnco4)n3)c3cc(-c4cccc5ccccc45)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PDK2 Q15119 2/20 0.40
ENPP1 P22413 2/20 0.40
ENPP3 O14638 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP4K4 O95819 1/20 0.35
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TNF P01375 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CA12 O43570 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
SCHEMBL17704399 0.91 ROCK2 (0.45) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL17704405 0.90 CYP11B1 (0.43) ROCK2CYP11B1CYP11B2PDK2ENPP1
SCHEMBL17704396 0.87 CYP11B1 (0.58) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL17704402 0.86 ROCK2 (0.48) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL17704395 0.86 ROCK2 (0.48) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL16159271 0.86 CYP11B1 (0.50) ROCK2CYP11B1CYP11B2PDK2ENPP1
SCHEMBL16159422 0.86 ROCK2 (0.47) ROCK2CYP11B1CYP11B2PDK2ENPP1
SCHEMBL17704401 0.85 ROCK2 (0.47) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL17704318 0.84 CYP11B1 (0.51) ROCK2CYP11B1CYP11B2PDK2ENPP1
SCHEMBL17704403 0.84 ROCK2 (0.46) ROCK2CYP11B1CYP11B2PDK2MEN1

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-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

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.