SCHEMBL1996412

SCHEMBL1996412

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.70
CASP6 P55212 1/20 0.55
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
HCAR3 P49019 8/20 0.48
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 1/20 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
SCHEMBL2005152 0.89 APEX1 (0.55) APEX1ALDH1A1MAPTTSHRLMNA
SCHEMBL2001981 0.87 APEX1 (0.72) APEX1CASP6ALDH1A1MAPTTSHR
SCHEMBL1995617 0.84 HPGD (0.59) APEX1ALDH1A1MAPTLMNAKMT2A
SCHEMBL8422374 0.83 APEX1 (0.71) APEX1CASP6ALDH1A1MAPTTSHR
SCHEMBL8215970 0.82 APEX1 (0.65) APEX1CASP6ALDH1A1MAPTTSHR
SCHEMBL856086 0.80 APEX1 (0.66) APEX1CASP6ALDH1A1MAPTTSHR
SCHEMBL1995492 0.80 MAPT (0.55) APEX1ALDH1A1MAPTLMNAMEN1
4-Chloro-3-Nitrobenzoic Acid SCHEMBL8768511 0.80 APEX1 (0.62) APEX1CASP6ALDH1A1MAPTLMNA
SCHEMBL1025382 0.80 APEX1 (0.69) APEX1CASP6ALDH1A1MAPTTSHR
SCHEMBL6173449 0.78 MAPT (0.47) APEX1ALDH1A1MAPTMEN1KMT2A

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 4287/4885CASP6 2257/4885ALDH1A1 1422/4885

“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.