SCHEMBL6449567

SCHEMBL6449567

C=NOCc1csc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NOS1 P29475 2/20 0.42
ATM Q13315 1/20 0.38
AOC3 Q16853 1/20 0.38
LTA4H P09960 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4400464 0.83 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL436856 0.76
SCHEMBL958545 0.75
SCHEMBL6363647 0.75
SCHEMBL24768947 0.74 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8723035 0.74 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9089346 0.74 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4780449 0.73 RAB9A (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4824847 0.73 GABRA5 (0.47) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3999942 0.73 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148570-A1 Novel substituted alkane compounds and uses thereof HUANG LIREN (US) 2005-07-07 US claimed
US-20050148570-A1 Novel substituted alkane compounds and uses thereof HUANG LIREN (US) 2005-07-07 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-20050148570-A1 Novel substituted alkane compounds and uses thereof ALK, CYP11B2, ALKBH2 MAPT 4130/4885SMN1; SMN2 3019/4885RAB9A 2607/4885

“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.