SCHEMBL5115093

SCHEMBL5115093

O=[N+]([O-])c1ccc(NCC(F)(F)F)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CXCR2 P25025 4/20 0.48
CXCR1 P25024 3/20 0.48
KCNMA1 Q12791 1/20 0.48
GPR35 Q9HC97 2/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.42
THRB P10828 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
SCHEMBL29769141 0.84 MEN1 (0.47) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL2061274 0.80 MAPT (0.54) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL6289865 0.78 HTT (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL109470 0.78 KMT2A (0.67) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL5123753 0.78 CXCR2 (0.48) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL17105681 0.77 CXCR2 (0.49) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL29208565 0.77 CXCR1 (0.56) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL2470932 0.77 KAT2B (0.52) ALDH1A1CXCR2CXCR1KCNMA1GPR35
SCHEMBL11477126 0.76 MAPT (0.54) ALDH1A1KMT2AMEN1HDAC6POLB
SCHEMBL9649749 0.75 MAPT (0.52) ALDH1A1CXCR2CXCR1KCNMA1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods HIGUCHI ROBERT I 2008-12-04 US disclosed
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 US disclosed
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2007-03-29 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
CN-1492872-A Tricyclic quinolinones and tricyclic quinolines as androgen receptor modulator compounds ���ʵ�ҩƷ��˾ 2004-04-28 CN disclosed
EP-1368357-A1 TRICYCLIC QUINOLINONE AND TRICYCLIC QUINOLINE AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-12-10 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
CN-1391576-A Androgen receptor modulator compounds and methods LIGAND PHARM INC (US) 2003-01-15 CN disclosed
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 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
WO-2002068427-A1 TRICYCLIC QUINOLINONE AND TRICYCLIC QUINOLINE AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-09-06 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 (5 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 ALDH1A1 1492/4885CXCR2 1734/4885CXCR1 1792/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 1492/4885CXCR2 1734/4885CXCR1 1792/4885
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 2701/4885CXCR2 2446/4885CXCR1 1084/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 2490/4885CXCR2 2562/4885CXCR1 1339/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 2490/4885CXCR2 2562/4885CXCR1 1339/4885

“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.