SCHEMBL2005152

SCHEMBL2005152

O=C(Cl)c1ccc(SCCCl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.55
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
CA2 P00918 2/20 0.46
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
VCAM1 P19320 1/20 0.42
PDK1 Q15118 1/20 0.42
LMNA P02545 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
SCHEMBL1996412 0.89 APEX1 (0.70) APEX1ALDH1A1MAPTCA2MEN1
SCHEMBL9503748 0.84 MAPT (0.56) APEX1ALDH1A1MAPTHPGDMEN1
SCHEMBL1995617 0.84 HPGD (0.59) APEX1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6515444 0.82 APEX1 (0.51) APEX1ALDH1A1MAPTHPGDTSHR
SCHEMBL1995492 0.80 MAPT (0.55) APEX1ALDH1A1MAPTHPGDHSP90AA1
SCHEMBL9731903 0.79 MAPT (0.50) APEX1ALDH1A1MAPTHPGDMEN1
SCHEMBL6173449 0.78 MAPT (0.47) APEX1ALDH1A1MAPTCA2HPGD
SCHEMBL2001946 0.78 APEX1 (0.43) APEX1ALDH1A1MAPTHPGDHSP90AA1
SCHEMBL8427051 0.77 CA2 (0.62) APEX1ALDH1A1MAPTCA2MEN1
SCHEMBL2001981 0.75 APEX1 (0.72) APEX1ALDH1A1MAPTCA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 APEX1 4287/4885ALDH1A1 1422/4885MAPT 1743/4885

“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.