SCHEMBL5651606

SCHEMBL5651606

Cc1cc2c(cc1[N+](=O)[O-])NC(C)(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ AR P10275 15/20 0.40
▸ PGR P06401 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL10841318 0.80 AR (0.44) ARPGRNR3C2
SCHEMBL12428931 0.77 KIF11 (0.44) MAPK1MAPTALDH1A1
SCHEMBL1746106 0.76 ALDH1A1 (0.67) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL10840081 0.75 MAPT (0.52) ARPGRMAPTNR3C2MEN1
SCHEMBL7154079 0.75 MAPT (0.49) PGRMAPTALDH1A1MEN1KMT2A
SCHEMBL10841320 0.74 AR (0.46) ARPGRNR3C2
SCHEMBL2207326 0.74 MAPT (0.55) MAPK1ARMAPTALDH1A1MEN1
SCHEMBL10840122 0.71 AR (0.46) ARPGRNR3C2
SCHEMBL1027734 0.71 KIF11 (0.44) MAPK1MAPTALDH1A1
SCHEMBL30100755 0.71 KIF11 (0.44) MAPK1MAPTALDH1A1

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 disclosed
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-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-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-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
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 MAPK1 1761/4885AR 1/4885PGR 30/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPK1 1761/4885AR 1/4885PGR 30/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 MAPK1 1761/4885AR 1/4885PGR 30/4885

“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.

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