SCHEMBL4527774

SCHEMBL4527774

CC(C)Oc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
TSHR P16473 4/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 1/20 0.37
CYP3A4 P08684 2/20 0.36
HTR2A P28223 1/20 0.35
PDK1 Q15118 1/20 0.35
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL16974738 0.83 TSHR (0.38) TSHRLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL2685223 0.81 HTT (0.47) CYP19A1TSHRLMNATDP1ALDH1A1
SCHEMBL6599832 0.77 PTGS2 (0.43) TSHRLMNATDP1ALDH1A1HTT
SCHEMBL16950956 0.75 MAPT (0.41) CYP19A1TSHRLMNATDP1ALDH1A1
SCHEMBL4390254 0.74 TSHR (0.42) TSHRLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL6601885 0.73 HTT (0.40) TSHRLMNATDP1ALDH1A1HTT
SCHEMBL5742335 0.72 LMNA (0.40) CYP19A1TSHRLMNATDP1ALDH1A1
SCHEMBL6826584 0.72 ALDH1A1 (0.36) TSHRLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL10914343 0.71 TSHR (0.39) TSHRLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL2298630 0.71 TSHR (0.39) TSHRLMNATDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP claimed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 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 (1 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A CYP19A1 329/4885TSHR 486/4885LMNA 2733/4885

“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.