SCHEMBL2007330

SCHEMBL2007330

O=C(c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
KCNH2 Q12809 2/20 0.46
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
MLYCD O95822 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PIK3CA P42336 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SCN9A Q15858 1/20 0.40
SLC6A9 P48067 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
POLB P06746 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL2000002 0.93 HPGD (0.47) EPHX2KCNH2MLYCDPIK3CALMNA
SCHEMBL2006557 0.87 GAA (0.39) EPHX2KCNH2SMN1; SMN2PIK3CALMNA
SCHEMBL2004287 0.87 NPC1 (0.40) KCNH2SMN1; SMN2PIK3CALMNAHPGD
SCHEMBL2002032 0.83 HSD11B1 (0.35) SMN1; SMN2PIK3CAHPGDPOLBRORC
SCHEMBL2008902 0.82 CPT1A (0.35) ALOX5APFEN1SMN1; SMN2PIK3CAPOLB
SCHEMBL2004171 0.80 EPHX2 (0.47) EPHX2KCNH2MLYCDHPGDSLC6A9
SCHEMBL2001814 0.79 CNR1 (0.40) SMN1; SMN2PIK3CAPOLBRORCALDH1A1
SCHEMBL2005665 0.79 HTT (0.37) SMN1; SMN2PIK3CALMNARORCALDH1A1
SCHEMBL2001763 0.79 CNR2 (0.34) KCNH2PIK3CALMNASCN9APOLB
SCHEMBL1999329 0.79 RORC (0.36) EPHX2RORC

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 2 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-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 EPHX2 345/4885KCNH2 1073/4885ALOX5AP 117/4885

“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.