SCHEMBL6466251

SCHEMBL6466251

Cc1[nH]c(C)c(-c2ccc([N+](=O)[O-])cc2)c1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RIPK1 Q13546 1/20 0.45
▸ PSD A5PKW4 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SLC11A2 P49281 1/20 0.42
▸ CCR6 P51684 1/20 0.41

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
SCHEMBL6466463 0.80 AR (0.58) ARMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL14979225 0.74 MEN1 (0.52) MEN1MAPTKMT2AGAAHTT
SCHEMBL267666 0.72 ALDH1A1 (0.70) MEN1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6988913 0.71 IMPDH2 (0.56) ARMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6465337 0.71 KMT2A (0.72) ARMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL27583119 0.70 CYP1A2 (0.51) ARMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9666436 0.70 ALDH1A1 (0.65) MEN1MAPTKMT2ASMN1; SMN2HTT
Methylamine SCHEMBL9267123 0.69 MAPK1 (0.67) MEN1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL5843025 0.69 ALDH1A1 (0.44) ARMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5065616 0.68 MAPT (0.52) ARMEN1MAPTKMT2ASMN1; 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 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 6/4885MEN1 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.

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