SCHEMBL2007329

SCHEMBL2007329

COC(=O)C1CCCCN1C(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PDK2 Q15119 2/20 0.38
DGAT1 O75907 1/20 0.36
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FKBP1A P62942 1/20 0.34
ROCK2 O75116 1/20 0.34
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
LOX P28300 1/20 0.34
SCN9A Q15858 1/20 0.34
MCHR1 Q99705 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2002075 0.88 RHOC (0.39) KMT2ARAB9ASPHK2SPHK1RHOC
SCHEMBL2007154 0.87 RAB9A (0.40) KMT2ARAB9ANPC1SPHK2SPHK1
SCHEMBL2008210 0.84 KMT2A (0.42) KMT2ARAB9ANPC1PDK2LOX
SCHEMBL2008212 0.84 KMT2A (0.42) KMT2ARAB9ANPC1PDK2LOX
SCHEMBL2000002 0.82 HPGD (0.47) KMT2ASCN9ACNR1CNR2KDM4E
SCHEMBL2002032 0.81 HSD11B1 (0.35) KMT2AMCHR1ALDH1A1
SCHEMBL2008902 0.79 CPT1A (0.35) KDM4EALDH1A1
SCHEMBL2007330 0.78 EPHX2 (0.47) SCN9AALDH1A1
SCHEMBL2004287 0.78 NPC1 (0.40) KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2006557 0.78 GAA (0.39) KMT2AALDH1A1

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 KMT2A 3804/4885RAB9A 2694/4885NPC1 1554/4885

“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.