SCHEMBL2129265

SCHEMBL2129265

CCOc1ccc(C2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.63
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 3/20 0.58
ABCB1 P08183 2/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 3/20 0.51
ALOX12 P18054 2/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL10144696 0.84 GAA (0.61) ALDH1A1LMNASMN1; SMN2GAAABCB1
SCHEMBL13419901 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL10113701 0.75 ADORA2B (0.64) ALDH1A1GAAHTT
SCHEMBL7691437 0.74 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL7695378 0.71 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2GAAABCB1
SCHEMBL16497681 0.71 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2ABCB1HSD17B10
SCHEMBL10113002 0.70 DHFR (0.72) ALDH1A1LMNASMN1; SMN2ALOX12HTT
SCHEMBL7695596 0.69 TP53 (0.61) ALDH1A1LMNASMN1; SMN2GAAABCB1
SCHEMBL7694783 0.69 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2GAAMAPTHSD17B10
SCHEMBL3168404 0.69 CA1 (0.79) ALDH1A1LMNAGAAHSD17B10HPGD

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 US disclosed
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 2125/4885LMNA 4109/4885SMN1; SMN2 4780/4885

“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.