SCHEMBL2009528

SCHEMBL2009528

N=C(NO)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.45
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
HDAC6 Q9UBN7 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CYP11B1 P15538 1/20 0.40
CPT1A P50416 2/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 3/20 0.39
CYP2C9 P11712 1/20 0.39
ABL1 P00519 1/20 0.36

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
SCHEMBL2002839 0.86 RORC (0.48) RORCNR1H3NR1H2HDAC6HDAC3
SCHEMBL2004004 0.85 RORC (0.47) RORCNR1H3NR1H2HDAC6HDAC3
SCHEMBL2000444 0.85 RORC (0.49) RORCNR1H3NR1H2HDAC6HDAC3
SCHEMBL2000796 0.84 CYP2C9 (0.55) RORCNR1H3NR1H2HDAC6HDAC3
SCHEMBL2003116 0.83 CPT1A (0.48) RORCNR1H3NR1H2HDAC6HDAC3
SCHEMBL2009531 0.82 RORC (0.43) RORCNR1H3NR1H2HDAC6HDAC3
SCHEMBL2001989 0.82 HPGD (0.48) RORCNR1H3NR1H2CYP11B1CPT1A
SCHEMBL2004171 0.82 EPHX2 (0.47) RORCNR1H3NR1H2EPHX2
SCHEMBL2003923 0.81 CNR1 (0.49) RORCNR1H3NR1H2CPT1AEPHX2
SCHEMBL12570135 0.80 RORC (0.44) RORCNR1H3NR1H2CYP11B1CPT1A

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 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 RORC 122/4885NR1H3 328/4885NR1H2 208/4885

“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.