SCHEMBL4400464

SCHEMBL4400464

[CH]=NOCc1csc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOS1 P29475 2/20 0.43
ATM Q13315 1/20 0.39
AOC3 Q16853 1/20 0.39
LTA4H P09960 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6449567 0.83 MAPT (0.51) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL436856 0.78
SCHEMBL958545 0.76
SCHEMBL6363647 0.76
SCHEMBL24768947 0.75 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8723035 0.75 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9089346 0.75 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4780449 0.74 RAB9A (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4824847 0.74 GABRA5 (0.47) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3999942 0.74 GABRA5 (0.51) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453913-A4 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF ANTEX PHARMA INC (US) 2006-04-05 EP claimed
US-20050148570-A1 Novel substituted alkane compounds and uses thereof HUANG LIREN (US) 2005-07-07 US claimed
EP-1453913-A2 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF Antex Pharma, Inc. (US) 2004-09-08 EP claimed
WO-2003062443-A2 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF ANTEX PHARMA, INC. (US) 2003-07-31 WO claimed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
EP-1453913-A4 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF ANTEX PHARMA INC (US) 2006-04-05 EP disclosed
US-20050148570-A1 Novel substituted alkane compounds and uses thereof HUANG LIREN (US) 2005-07-07 US disclosed
EP-1453913-A2 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF Antex Pharma, Inc. (US) 2004-09-08 EP disclosed
WO-2003062443-A2 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF ANTEX PHARMA, INC. (US) 2003-07-31 WO 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 (4 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-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD MAPT 3874/4885SMN1; SMN2 4852/4885RAB9A 4140/4885
US-20050148570-A1 Novel substituted alkane compounds and uses thereof ALK, CYP11B2, ALKBH2 MAPT 4130/4885SMN1; SMN2 3019/4885RAB9A 2607/4885
US-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD MAPT 3874/4885SMN1; SMN2 4852/4885RAB9A 4140/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD MAPT 3874/4885SMN1; SMN2 4852/4885RAB9A 4140/4885

“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.