SCHEMBL1997689

SCHEMBL1997689

O=C(c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
CPT1A P50416 1/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL2002827 0.90 RORC (0.45) RORCL3MBTL1LMNACPT1AKMT2A
SCHEMBL2003614 0.90 PKM (0.46) RORCL3MBTL1LMNACPT1ASMN1; SMN2
SCHEMBL1997063 0.89 RORC (0.48) RORCL3MBTL1CPT1AKMT2AMEN1
SCHEMBL2006124 0.88 RORC (0.46) RORCCPT1AKMT2AMEN1
SCHEMBL1997790 0.88 POLB (0.43) RORCL3MBTL1LMNACPT1AKMT2A
SCHEMBL12570214 0.86 PKM (0.56) LMNAKMT2ASMN1; SMN2MEN1ATM
SCHEMBL2005784 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1PKM
SCHEMBL2005185 0.85 CPT1A (0.51) RORCL3MBTL1CPT1AKMT2ASMN1; SMN2
SCHEMBL2004707 0.85 RORC (0.46) RORCCPT1AKMT2AMEN1PKM
SCHEMBL1999769 0.84 CPT1A (0.47) RORCLMNACPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 RORC 122/4885L3MBTL1 4304/4885LMNA 3572/4885

“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.