SCHEMBL6465314

SCHEMBL6465314

CCOC(=O)c1[nH]c(C)c(-c2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.71
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
XPO1 O14980 1/20 0.48
CDC25B P30305 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PRKCZ Q05513 1/20 0.48

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
SCHEMBL2903730 0.83 AR (1.00) ARMAPTMEN1KMT2AGAA
SCHEMBL5731634 0.81 RAB9A (0.61) MEN1KMT2ASMN1; SMN2HPGDCYP1A2
SCHEMBL5396489 0.80 KMT2A (0.58) ARMAPTMEN1KMT2AHTT
SCHEMBL3888738 0.78 AR (0.59) ARMAPTMEN1KMT2AHPGD
SCHEMBL18040285 0.77 AR (0.54) ARMAPTMEN1KMT2AGAA
SCHEMBL9979815 0.77 AR (0.64) ARMAPTMEN1KMT2AGAA
SCHEMBL16693014 0.77 AR (0.54) ARMAPTMEN1KMT2AGAA
SCHEMBL8325791 0.76 CDK2 (0.56) ARMAPTMEN1KMT2ARAB9A
SCHEMBL4483647 0.76 MEN1 (0.64) ARMAPTMEN1KMT2AGAA
SCHEMBL28362521 0.75 KCNJ1 (0.64) ARMAPTMEN1KMT2AGAA

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885MAPT 4864/4885MEN1 2050/4885

“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.