SCHEMBL2002471

SCHEMBL2002471

CN(Cc1ccccc1)C(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ROCK2 O75116 1/20 0.41
MLYCD O95822 1/20 0.41
TACR1 P25103 2/20 0.39
MTOR P42345 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
LIPE Q05469 1/20 0.37
MAPT P10636 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
SCHEMBL1998217 0.83 TP53 (0.35) HPGDMLYCD
SCHEMBL2011262 0.83 MAPT (0.50) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL2001763 0.82 CNR2 (0.34) ALDH1A1GAATSHRKCNH2
SCHEMBL1998304 0.81 HIF1A (0.32) ALDH1A1GAAMLYCDKCNH2
SCHEMBL1999400 0.79 HIF1A (0.31)
SCHEMBL2000721 0.79 SCN9A (0.35) KMT2AALDH1A1GAALIPE
SCHEMBL1997586 0.78 GPBAR1 (0.31) MLYCD
SCHEMBL2008902 0.78 CPT1A (0.35) ALDH1A1GAAHDAC3HDAC6HDAC1
SCHEMBL2000002 0.77 HPGD (0.47) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL2007330 0.77 EPHX2 (0.47) HPGDALDH1A1MLYCDKCNH2

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 MEN1 4453/4885KMT2A 3804/4885HPGD 682/4885

“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.