SCHEMBL6318204

SCHEMBL6318204

COc1cc(OC)c(C(=O)Nc2nc(C)c(C)s2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.68
NPC1 O15118 11/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
MAPT P10636 5/20 0.68
TP53 P04637 3/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PKM P14618 2/20 0.52
HSD17B10 Q99714 2/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ALPL P05186 1/20 0.48

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
SCHEMBL6311709 0.84 TP53 (0.78) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL16073083 0.77 TP53 (0.62) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL25142625 0.73 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL16073066 0.73 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL7055631 0.73 HSD17B10 (0.57) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL6970367 0.73 L3MBTL1 (0.55) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL31665068 0.72 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL25142454 0.72 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20481587 0.72 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL30058880 0.72 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2MAPTTP53

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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates MITSUI CHEMICALS, INC. (JP) 2005-06-30 US disclosed
EP-1489073-A1 PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES MITSUI CHEMICALS, INC. (JP) 2004-12-22 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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates CBR3, CBR1, IDH1 RAB9A 2103/4885NPC1 3375/4885SMN1; SMN2 4217/4885

“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.