SCHEMBL6695940

SCHEMBL6695940

CC(C)(N)CNc1nc(-c2ccccc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
ALDH1A1 P00352 6/20 0.59
STAT1 P42224 1/20 0.59
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GFER P55789 2/20 0.58
GAA P10253 5/20 0.51
LMNA P02545 3/20 0.51
ALOX12 P18054 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ATM Q13315 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL29470100 0.89 RAB9A (0.61) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL6699358 0.81 MAPT (0.52) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL1747419 0.81 MEN1 (0.71) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL1747328 0.78 RAB9A (0.81) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL1745328 0.78 MAPT (0.62) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL1819538 0.78 MEN1 (0.60) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL21517172 0.77 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL1820346 0.76 ALDH1A1 (0.76) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL10475630 0.76 MAPT (0.91) MAPTRAB9ANPC1ALDH1A1STAT1
SCHEMBL2582346 0.75 KMT2A (0.49) MAPTRAB9ANPC1ALDH1A1STAT1

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 MAPT 3376/4885RAB9A 2032/4885NPC1 700/4885

“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.