SCHEMBL10144688

SCHEMBL10144688

COC(=O)C1=C(C)NC(=S)NC1c1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.60
ALDH1A1 P00352 8/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
DHFR P00374 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 5/20 0.49
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ADORA2B P29275 1/20 0.47
MAPK10 P53779 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
SCHEMBL10113522 0.85 ALDH1A1 (0.61) ALDH1A1MAPTPOLBKMT2ADHFR
SCHEMBL7692901 0.84 ALDH1A1 (0.66) EGFRALDH1A1POLBKMT2ADHFR
SCHEMBL7694652 0.82 DHFR (0.63) EGFRALDH1A1MAPTPOLBKMT2A
SCHEMBL7690576 0.77 DHFR (0.76) ALDH1A1MAPTPOLBKMT2ADHFR
SCHEMBL14164070 0.74 DHFR (0.79) ALDH1A1MAPTDHFRALOX12HTT
SCHEMBL7695774 0.74 CA1 (0.70) ALDH1A1MAPTPOLBKMT2ADHFR
SCHEMBL14164069 0.74 DHFR (0.66) ALDH1A1MAPTDHFRALOX12HTT
SCHEMBL29793883 0.73 DHFR (0.59) ALDH1A1MAPTPOLBKMT2ADHFR
SCHEMBL10113026 0.73 DHFR (0.62) EGFRALDH1A1MAPTDHFRALOX12
SCHEMBL29794007 0.73 DHFR (0.59) ALDH1A1POLBKMT2ADHFRGAA

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 EGFR 4353/4885ALDH1A1 2125/4885MAPT 2982/4885

“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.