SCHEMBL10144040

SCHEMBL10144040

C=C(Nc1sc(C)c(C)c1C(=C)N)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.61
HPGD P15428 10/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HSD17B10 Q99714 4/20 0.61
MAPK10 P53779 2/20 0.61
TP53 P04637 2/20 0.61
KDM4E B2RXH2 8/20 0.50
MAPK1 P28482 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
KIF11 P52732 1/20 0.49
MAPT P10636 9/20 0.47
NPC1 O15118 6/20 0.47
GAA P10253 2/20 0.47
ADORA1 P30542 1/20 0.47
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7003174 0.71 ALDH1A1 (0.72) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL24290884 0.67 NPC1 (0.66) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL20751769 0.67 RAB9A (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL18868545 0.66
SCHEMBL5675393 0.64 ADORA1 (1.00) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL24291380 0.62 KMT2A (0.62) ALDH1A1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL8277600 0.61 AIP (0.62) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL7003934 0.60 ALDH1A1 (0.70) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL19435732 0.60 NPC1 (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2TDP1
SCHEMBL14610769 0.60 NPC1 (0.73) ALDH1A1HPGDRAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 ALDH1A1 2125/4885HPGD 989/4885RAB9A 3256/4885

“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.