SCHEMBL9937593

SCHEMBL9937593

CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
MAPT P10636 8/20 0.55
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CYP19A1 P11511 1/20 0.52
ALDH3A1 P30838 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 3/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL4604698 0.87 MAPT (0.66) HTTMAPTGAASMN1; SMN2TDP1
SCHEMBL11526803 0.85 HTT (0.71) HTTMAPTGAASMN1; SMN2TDP1
SCHEMBL11310805 0.83 ALDH1A1 (0.65) HTTMAPTGAASMN1; SMN2CYP19A1
SCHEMBL358355 0.82 HTT (0.63) HTTMAPTGAASMN1; SMN2TDP1
SCHEMBL3164500 0.82 ALDH1A1 (0.66) HTTMAPTGAASMN1; SMN2TDP1
SCHEMBL10790188 0.82 HTT (0.68) HTTMAPTGAASMN1; SMN2TDP1
SCHEMBL12426042 0.82 HTT (0.82) HTTMAPTGAASMN1; SMN2TDP1
SCHEMBL8407245 0.82 AR (0.67) HTTCYP19A1KMT2AMEN1RAB9A
SCHEMBL5069543 0.81 CYP19A1 (0.50) HTTMAPTSMN1; SMN2CYP19A1KMT2A
SCHEMBL8407118 0.81 AR (0.52) HTTMAPTSMN1; SMN2TDP1CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
EP-2651412-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF Beth Israel Deaconess Medical Center (US) 2013-10-23 EP disclosed
WO-2012082862-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-06-21 WO 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-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, NR5A1, ESRRB HTT 3761/4885MAPT 4552/4885GAA 2513/4885

“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.