SCHEMBL6310452

SCHEMBL6310452

COc1ccc(C(=O)Nc2nc(CCl)cs2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
RAB9A P51151 6/20 0.60
KMT2A Q03164 4/20 0.56
TP53 P04637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 1/20 0.56
PDE5A O76074 1/20 0.56
KLF5 Q13887 1/20 0.55
DCLK1 O15075 1/20 0.55
FES P07332 1/20 0.55
PIM1 P11309 1/20 0.55
CDK2 P24941 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
IRAK1 P51617 1/20 0.55
MAP4K2 Q12851 1/20 0.55
NTRK3 Q16288 1/20 0.55
HIPK4 Q8NE63 1/20 0.55

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
SCHEMBL6312465 0.86 SMN1; SMN2 (0.57) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL16078325 0.78 MEN1 (0.62) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL17107205 0.78 NPC1 (0.57) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL2766185 0.78 HPGD (0.64) SMN1; SMN2RAB9AKMT2ATP53ALDH1A1
SCHEMBL11996511 0.77 NPC1 (0.56) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL24770658 0.76 MAPK1 (0.62) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL354761 0.75 APLNR (0.50) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL30058880 0.75 ALDH1A1 (0.53) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL16073069 0.75 RAB9A (0.72) NPC1SMN1; SMN2RAB9AKMT2ATP53
SCHEMBL6311709 0.74 TP53 (0.78) NPC1SMN1; SMN2RAB9AKMT2ATP53

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 NPC1 3375/4885SMN1; SMN2 4217/4885RAB9A 2103/4885

“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.