SCHEMBL7364268

SCHEMBL7364268

CN(C)CCOc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
LTA4H P09960 6/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATP4A P20648 7/20 0.51
ATP4B P51164 7/20 0.51
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL3143838 0.84 RAB9A (0.72) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5329073 0.82 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7384847 0.81 LTA4H (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7403707 0.80 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1802368 0.80 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2812807 0.75 ALDH1A1 (0.52) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL127807 0.75 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1887643 0.75 MAPT (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11838315 0.74 LTA4H (0.62) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1771825 0.74 ALDH1A1 (0.79) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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 (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-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 RAB9A 2823/4885NPC1 285/4885MAPT 1179/4885

“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.