SCHEMBL5521162

SCHEMBL5521162

COc1ccc(CNc2ccc([N+](=O)[O-])cc2OC)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.81
KMT2A Q03164 10/20 0.81
MEN1 O00255 7/20 0.81
CRHBP P24387 4/20 0.81
CRHR2 Q13324 4/20 0.81
GAA P10253 3/20 0.60
ALDH1A1 P00352 8/20 0.60
HTT P42858 4/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EGFR P00533 1/20 0.58
IGF1R P08069 1/20 0.58
CYP19A1 P11511 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL10358222 0.87 MAPT (0.77) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL597148 0.81 MAPT (0.61) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL22890786 0.81 MAPT (0.64) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL21280225 0.80 HTT (0.62) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL4309629 0.80 MAPT (0.62) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL27731855 0.78 KMT2A (0.67) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL22890851 0.78 MAPT (0.60) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL22890334 0.78 MAPT (0.60) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6574005 0.77 HTT (0.58) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL56823 0.77 HTT (0.58) MAPTKMT2AMEN1GAAALDH1A1

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-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 WO disclosed
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (2 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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR MAPT 3730/4885KMT2A 2059/4885MEN1 2955/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR MAPT 3730/4885KMT2A 2059/4885MEN1 2955/4885

“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.