SCHEMBL6364424

SCHEMBL6364424

COc1cccc(NN2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GALR2 O43603 1/20 0.49
GALR1 P47211 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HSD17B10 Q99714 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7055546 0.98 NPC1 (0.58) HTTNPC1RAB9AGALR2GALR1
SCHEMBL28470521 0.85 SMN1; SMN2 (0.58) HTTNPC1RAB9ACYP2C19POLB
SCHEMBL3544482 0.79 POLB (0.44) HTTRAB9ACYP2C19MEN1KMT2A
SCHEMBL19858912 0.75 NPC1 (0.51) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL8989442 0.75 ALDH1A1 (0.55) HTTNPC1RAB9ACYP2C19MEN1
SCHEMBL7102415 0.75 CHRNB2 (0.44) HTTNPC1RAB9AGALR2
SCHEMBL3183663 0.74 NPC1 (0.55) HTTNPC1RAB9AKMT2AHRH3
SCHEMBL7097803 0.73 SCN10A (0.44) HTTNPC1RAB9AGALR2HRH3
SCHEMBL7103744 0.73 SCN10A (0.44) HTTNPC1RAB9AGALR2HRH3
SCHEMBL10405943 0.73 GALR2 (0.63) HTTNPC1RAB9AGALR2GALR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288324-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts BLUME THORSTEN 2005-12-29 US disclosed
US-6946466-B2 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SCHERING AG (DE) 2005-09-20 US disclosed
WO-2004089882-A2 AROMATIC SULFONAMIDES AS PEROXYNITRITE-REARRANGEMENT CATALYSTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-10-21 WO disclosed
US-20040204452-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SCHERING AG (DE) 2004-10-14 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 (2 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-20050288324-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SQOR, GSR, PPOX HTT 1708/4885NPC1 3149/4885RAB9A 4481/4885
US-20040204452-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SQOR, NOX1, GSR HTT 1497/4885NPC1 2309/4885RAB9A 4403/4885

“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.