SCHEMBL6692601

SCHEMBL6692601

COc1cc(NC(=O)Cc2cccc(NC(=O)c3ncoc3-c3ccc(F)cc3Cl)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.43
IMPDH2 P12268 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM1 Q13255 1/20 0.39
GRM4 Q14833 1/20 0.39
PTGS2 P35354 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL5774427 0.87 POLB (0.47) SMN1; SMN2MAPTHTTLMNAIMPDH2
SCHEMBL5770740 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL5773731 0.77 PTGS2 (0.51) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL6696054 0.76 PTGS2 (0.45) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL5778314 0.74 MAPT (0.59) SMN1; SMN2MAPTHTTLMNAABCB1
SCHEMBL5771902 0.74 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL7499779 0.73 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL7220141 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL5774722 0.70 PTGS2 (0.57) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL5776889 0.69 PTGS2 (0.62) SMN1; SMN2MAPTHTTLMNAABCB1

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-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 SMN1; SMN2 4456/4885MAPT 4342/4885HTT 3901/4885

“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.