SCHEMBL4056646

SCHEMBL4056646

CC1=C(C(=O)O)C(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.44
MAPT P10636 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ROCK1 Q13464 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
PKM P14618 1/20 0.41
VCAM1 P19320 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL4331794 0.88 HTT (0.61) LMNAALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL3897393 0.84 GPBAR1 (0.44) LMNAALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL17478253 0.84 RPS6KB1 (0.55) LMNAGPBAR1HTTTP53RPS6KB1
SCHEMBL16087929 0.80 LMNA (0.61) LMNAALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL16087935 0.80 LMNA (0.61) LMNAALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL3887062 0.79 HTT (0.51) LMNAALDH1A1MAPK1GPBAR1HTT
SCHEMBL3888823 0.79 GPBAR1 (0.65) LMNAGPBAR1HTTTP53TSHR
SCHEMBL5661329 0.75 ADRA1A (0.52) LMNAGPBAR1HTTTP53ADRA2A
SCHEMBL8004288 0.75 ADRA1A (0.52) LMNAGPBAR1HTTTP53ADRA2A
SCHEMBL7928701 0.75 ADRA1A (0.52) LMNAGPBAR1HTTTP53ADRA2A

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 LMNA 3788/4885ALDH1A1 4603/4885KMT2A 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.