SCHEMBL5123485

SCHEMBL5123485

O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.42
CUL4A Q13619 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5123497 1.00 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5518635 0.96 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14472646 0.84 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL13343707 0.84 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL23070837 0.82 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29560224 0.82 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL18280176 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMAPTCUL4A
SCHEMBL26112304 0.81 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL26112312 0.81 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL13343702 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTTHRB

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 13 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

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 1492/4885KMT2A 2059/4885LMNA 3642/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 1492/4885KMT2A 2059/4885LMNA 3642/4885
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 2701/4885KMT2A 879/4885LMNA 3210/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 2490/4885KMT2A 953/4885LMNA 2879/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 2490/4885KMT2A 953/4885LMNA 2879/4885

“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.