SCHEMBL3492541

SCHEMBL3492541

CCOC(=O)c1ccnc(NC(=O)CCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NAMPT P43490 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
MAPK14 Q16539 1/20 0.50
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.47
EGFR P00533 1/20 0.47
ERBB3 P21860 1/20 0.47
CCKBR P32239 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL3491650 0.84 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL29409190 0.84 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9227312 0.83 EGFR (0.54) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1568064 0.82 RAB9A (0.59) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL3490414 0.81 SMN1; SMN2 (0.57) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4843519 0.81 NOS2 (0.58) MAPTRAB9ANPC1SMN1; SMN2NAMPT
SCHEMBL3493816 0.79 TDP1 (0.52) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1767500 0.79 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6935872 0.79 JMJD6 (0.51) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL1994885 0.78 NAMPT (0.77) MAPTRAB9ANPC1SMN1; SMN2NAMPT

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP MAPT 368/4885RAB9A 3231/4885NPC1 1571/4885

“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.