SCHEMBL17704396

SCHEMBL17704396

c1cc(-c2cnco2)nc(-c2c3ccccc3c(-c3cccc(-c4cnco4)n3)c3cc(-c4ccc5ccccc5c4)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.58
CYP11B2 P19099 3/20 0.58
ROCK2 O75116 2/20 0.46
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.36
PDK2 Q15119 2/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 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
SCHEMBL17704402 0.90 ROCK2 (0.48) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL17704395 0.90 ROCK2 (0.48) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL17704401 0.89 ROCK2 (0.47) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL17704403 0.88 ROCK2 (0.46) CYP11B1CYP11B2ROCK2CYP19A1MEN1
SCHEMBL17704397 0.87 ROCK2 (0.45) CYP11B1CYP11B2ROCK2CYP1A2SMN1; SMN2
SCHEMBL16159274 0.85 CYP11B1 (0.68) CYP11B1CYP11B2ROCK2CYP17A1CYP19A1
SCHEMBL17704399 0.84 ROCK2 (0.45) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL16159421 0.84 CYP11B1 (0.57) CYP11B1CYP11B2ROCK2CYP17A1CYP19A1
SCHEMBL17704392 0.84 ROCK2 (0.56) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL17704315 0.84 CYP11B1 (0.68) CYP11B1CYP11B2ROCK2CYP17A1CYP19A1

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 CYP11B1 312/4885CYP11B2 420/4885ROCK2 3962/4885

“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.