SCHEMBL5650837

SCHEMBL5650837

C[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.60
AR P10275 13/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
PGR P06401 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4D Q08499 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 2/20 0.52

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
SCHEMBL5651706 1.00 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL5651700 1.00 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL14367271 1.00 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL5650841 1.00 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL1353320 0.86 SIRT6 (0.59) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL2795693 0.82 SIRT6 (0.58) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL2795699 0.82 SIRT6 (0.58) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL11974197 0.81 SIRT6 (0.52) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL2308925 0.80 SIRT6 (0.50) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL2838057 0.79 SIRT6 (0.65) SIRT6ARLMNASMN1; SMN2CYP3A4

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 17 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 claimed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US claimed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US claimed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US claimed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US claimed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US claimed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
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-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-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-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
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US 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 1577/4885AR 1/4885LMNA 3870/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 SIRT6 1577/4885AR 1/4885LMNA 3870/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 SIRT6 1577/4885AR 1/4885LMNA 3870/4885

“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.