SCHEMBL7063736

SCHEMBL7063736

COc1ccc2[nH]c(C(=O)c3cccc([N+](=O)[O-])c3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
PDGFRB P09619 2/20 0.62
PDGFRA P16234 2/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
FLT3 P36888 1/20 0.59

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
SCHEMBL7065908 0.87 HDAC6 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6389792 0.85 MEN1 (0.82) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6171445 0.82 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5828518 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL29354248 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7066250 0.81 MEN1 (0.74) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6395923 0.79 HDAC6 (0.84) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7789143 0.79 MAPT (0.64) MEN1KMT2ATSHRNPC1RAB9A
SCHEMBL7063661 0.79 PDGFRB (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7066038 0.79 PDGFRB (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (2 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MEN1 1405/4885KMT2A 554/4885CYP1A2 469/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MEN1 1405/4885KMT2A 554/4885CYP1A2 469/4885

“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.