SCHEMBL2000002

SCHEMBL2000002

O=C(c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.38
PIK3CA P42336 1/20 0.38
EPHX2 P34913 2/20 0.38
MLYCD O95822 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX15 P16050 1/20 0.37
SCN9A Q15858 2/20 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
SCHEMBL2007330 0.93 EPHX2 (0.47) HPGDPOLBLMNAALDH1A1KCNH2
SCHEMBL2006557 0.87 GAA (0.39) HPGDMEN1KMT2APOLBLMNA
SCHEMBL2004287 0.87 NPC1 (0.40) HPGDTSHRKMT2ALMNAALDH1A1
SCHEMBL2002032 0.85 HSD11B1 (0.35) HPGDMEN1TSHRKMT2APOLB
SCHEMBL2008902 0.82 CPT1A (0.35) POLBALDH1A1KDM4EHSD17B10PIK3CA
SCHEMBL2007329 0.82 KMT2A (0.41) KMT2AALDH1A1KDM4ECNR1CNR2
SCHEMBL2002907 0.81 HDAC4 (0.44) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL2007154 0.81 RAB9A (0.40) MEN1KMT2APOLBCNR2
SCHEMBL2002075 0.81 RHOC (0.39) MEN1KMT2ALMNAALDH1A1SCN9A
SCHEMBL2008087 0.80 HDAC4 (0.45) ALDH1A1EPHX2

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 HPGD 682/4885MEN1 4453/4885TSHR 1174/4885

“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.