SCHEMBL5651766

SCHEMBL5651766

CCOC(=O)C1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.47
FKBP1A P62942 1/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
AR P10275 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
S100A4 P26447 1/20 0.43
RECQL P46063 1/20 0.43
SERPINE1 P05121 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
SCHEMBL14367287 1.00 SIRT6 (0.49) SIRT6MAPTALDH1A1KDM4EFKBP1A
SCHEMBL5652256 0.97 KDM4E (0.51) SIRT6MAPTALDH1A1KDM4EFKBP1A
SCHEMBL14367283 0.84 SIRT6 (0.45) SIRT6MAPTALDH1A1KDM4EFKBP1A
SCHEMBL14367286 0.84 SIRT6 (0.47) SIRT6MAPTALDH1A1KDM4EFKBP1A
SCHEMBL5652839 0.84 SIRT6 (0.45) SIRT6MAPTALDH1A1KDM4EFKBP1A
SCHEMBL5649862 0.84 SIRT6 (0.47) SIRT6MAPTALDH1A1KDM4EFKBP1A
SCHEMBL15214404 0.83 KDM4E (0.55) ALDH1A1KDM4EFKBP1AKMT2ASMN1; SMN2
SCHEMBL14711763 0.80 MAPT (0.63) MAPTALDH1A1FKBP1AHTTLMNA
SCHEMBL18540944 0.79 SIRT6 (0.44) SIRT6MAPTALDH1A1HTTLMNA
SCHEMBL2795693 0.79 SIRT6 (0.58) SIRT6MAPTHTTLMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 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 (3 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 SIRT6 1577/4885MAPT 4233/4885ALDH1A1 611/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 SIRT6 1577/4885MAPT 4233/4885ALDH1A1 611/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 SIRT6 1577/4885MAPT 4233/4885ALDH1A1 611/4885

“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.