SCHEMBL6465337

SCHEMBL6465337

Cc1[nH]c(C)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
MEN1 O00255 4/20 0.72
MAPT P10636 2/20 0.72
GAA P10253 1/20 0.72
HTT P42858 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
AR P10275 6/20 0.69
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 1/20 0.48
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
MAPK1 P28482 1/20 0.43
SRD5A2 P31213 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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 0.82 AR (1.00) KMT2AMEN1MAPTGAAHTT
SCHEMBL6469590 0.81 KMT2A (0.74) KMT2AMEN1MAPTGAAHTT
SCHEMBL7772483 0.79 LMNA (0.70) KMT2AMEN1MAPTGAAHTT
SCHEMBL2024165 0.78 LMNA (0.51) KMT2AMEN1MAPTGAAHTT
SCHEMBL13280038 0.78 KMT2A (0.51) KMT2AMEN1MAPTGAAHTT
SCHEMBL6464286 0.76 KMT2A (0.50) KMT2AMEN1MAPTGAAHTT
SCHEMBL6466463 0.76 AR (0.58) KMT2AMEN1MAPTGAAHTT
SCHEMBL2022798 0.75 ALDH1A1 (0.56) KMT2AMEN1MAPTGAAHTT
SCHEMBL27316731 0.75 AR (0.50) KMT2AMEN1MAPTGAAHTT
SCHEMBL4918939 0.74 KMT2A (0.48) KMT2AMEN1MAPTGAAHTT

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 KMT2A 2015/4885MEN1 2050/4885MAPT 4864/4885

“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.