SCHEMBL7316397

SCHEMBL7316397

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c([N+](=O)[O-])c(-c2cccnc2)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 3/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
GBA1 P04062 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7326688 0.74 MAPT (0.40) ALDH1A1SMN1; SMN2CYP19A1CYP11B1CYP11B2
SCHEMBL25219879 0.69 ABCB1 (0.47) TP53CYP19A1CYP11B1CYP11B2GPR119
SCHEMBL29531325 0.69 ABCB1 (0.47) TP53CYP19A1CYP11B1CYP11B2GPR119
SCHEMBL21622375 0.66 NTRK1 (0.34) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL20217913 0.65 MAP4K4 (0.33) HTTNPC1RAB9AALDH1A1TP53
SCHEMBL18019516 0.65 P2RX7 (0.39) HTTMAPK1NPC1RAB9AALDH1A1
SCHEMBL21622378 0.64 TP53 (0.33) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL9571667 0.64 RAB9A (0.45) HTTRAB9AALDH1A1CYP11B1CYP11B2
SCHEMBL17129888 0.64 TP53 (0.37) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL21935994 0.64 NTRK1 (0.35) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 HTT 4767/4885MAPK1 410/4885NPC1 1906/4885

“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.