SCHEMBL9941834

SCHEMBL9941834

O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.54
POLB P06746 2/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL15609099 0.84 KMT2A (0.54) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL9941200 0.83 POLB (0.59) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL9941840 0.82 MAPT (0.67) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL9941647 0.82 ALDH1A1 (0.55) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL9942828 0.81 POLB (0.55) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL9941608 0.81 CYP19A1 (0.70) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL15627088 0.81 ALDH1A1 (0.46) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL7410329 0.80 POLB (0.55) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL13063891 0.78 KMT2A (0.71) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL15627070 0.78 ALDH1A1 (0.69) KMT2AMAPTALDH1A1LMNATSHR

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 6 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
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
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 KMT2A 1368/4885MAPT 4552/4885ALDH1A1 374/4885

“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.