SCHEMBL4331794

SCHEMBL4331794

COC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
TSHR P16473 3/20 0.55
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
PKM P14618 1/20 0.49
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
ALOX12 P18054 2/20 0.46

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
SCHEMBL4056646 0.88 LMNA (0.53) HTTTSHRKMT2AALDH1A1LMNA
SCHEMBL3884647 0.85 HTT (0.56) HTTTSHRKMT2AALDH1A1LMNA
SCHEMBL11784675 0.83 KMT2A (0.69) HTTTSHRKMT2AALDH1A1LMNA
SCHEMBL3884420 0.82 HTT (0.66) HTTTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL880467 0.80 HTT (0.78) HTTTSHRLMNAPKMTP53
SCHEMBL11860028 0.79 KMT2A (0.65) HTTTSHRKMT2AALDH1A1LMNA
SCHEMBL11784686 0.79 KMT2A (0.65) HTTTSHRKMT2AALDH1A1LMNA
SCHEMBL17782158 0.78 TP53 (0.72) HTTTSHRLMNAPKMTP53
SCHEMBL3323421 0.76 KDM4E (0.59) HTTKMT2AALDH1A1SMN1; SMN2ADRA2A
SCHEMBL3895171 0.76 HTT (0.67) HTTTSHRLMNAPKMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 HTT 4525/4885TSHR 4509/4885KMT2A 3760/4885

“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.