SCHEMBL2003608

SCHEMBL2003608

O=S(=O)(c1ccccc1)N1CCOc2ncc(-c3nc4ncccc4o3)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NR1H3 Q13133 1/20 0.39
GAA P10253 1/20 0.39
CPT1A P50416 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 3/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL12570337 0.92 RORC (0.50) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2000778 0.81 RORC (0.44) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2001990 0.76 GPR119 (0.44) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2005683 0.72 NR1H3 (0.43) RORCNPC1NR1H3CPT1ATP53
SCHEMBL2007284 0.72 CPT1A (0.52) RORCNR1H3CPT1AHTR6CYP11B1
SCHEMBL2003367 0.70 CPT1A (0.52) RORCNPC1NR1H3CPT1AHTR6
SCHEMBL2001969 0.69 CPT1A (0.47) RORCSMN1; SMN2ALDH1A1HPGDNR1H3
SCHEMBL2002595 0.69 RORC (0.53) RORCNR1H3CPT1AHTR6CYP11B1
SCHEMBL2001117 0.68 CPT1A (0.56) RORCNPC1RAB9ANR1H3GAA
SCHEMBL1999769 0.67 CPT1A (0.47) RORCNPC1ALDH1A1HPGDNR1H3

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-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-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 122/4885NPC1 1554/4885RAB9A 2694/4885

“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.