SCHEMBL2000593

SCHEMBL2000593

O=C(NCc1ccccc1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.51
RORC P51449 4/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NAMPT P43490 4/20 0.45
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL2000318 0.87 RORC (0.49) CPT1ARORCCYP3A4MAPTCYP2C9
SCHEMBL2002229 0.84 CPT1A (0.49) CPT1ARORCCYP2C9ALDH1A1NAMPT
SCHEMBL2005185 0.84 CPT1A (0.51) CPT1ARORCMAPK1MEN1KMT2A
SCHEMBL1998580 0.83 CPT1A (0.48) CPT1ARORCCYP3A4CYP2D6MAPT
SCHEMBL1999577 0.82 CPT1A (0.51) CPT1ARORCMEN1KMT2ACYP2C9
SCHEMBL1999198 0.81 CPT1A (0.49) CPT1ARORCMEN1KMT2ACYP2C9
SCHEMBL2001760 0.81 RORC (0.51) CPT1ARORCCYP2C9ALDH1A1
SCHEMBL2001759 0.81 RORC (0.49) CPT1ARORCMAPK1MEN1KMT2A
SCHEMBL1997689 0.80 RORC (0.47) CPT1ARORCMEN1KMT2ASMN1; SMN2
SCHEMBL2004223 0.80 RORC (0.46) CPT1ARORCMEN1KMT2AMAPT

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 8 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
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 CPT1A 3067/4885RORC 122/4885MAPK1 507/4885

“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.