SCHEMBL6466463

SCHEMBL6466463

Cc1[nH]c(C)c(-c2ccc([N+](=O)[O-])cc2)c1CO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SLC11A2 P49281 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL6466251 0.80 AR (0.50) ARMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6465337 0.76 KMT2A (0.72) ARMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2903730 0.73 AR (1.00) ARMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5065616 0.72 MAPT (0.52) ARMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11317091 0.71 MMP2 (0.51) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL6988913 0.70 IMPDH2 (0.56) ARMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6465314 0.70 AR (0.71) ARMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6469590 0.70 KMT2A (0.74) ARMEN1KMT2AMAPTSMN1; SMN2
Alcohol SCHEMBL28329576 0.68 TSHR (0.61) MAPTACHEHSD17B10ALDH1A1TSHR
SCHEMBL6466001 0.68 SMN1; SMN2 (0.49) ARMEN1KMT2AMAPTSMN1; 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 2050/4885KMT2A 2015/4885

“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.