SCHEMBL6835076

SCHEMBL6835076

O=C(NC[C@@H]1CCC[C@H](NC(=O)c2cc(I)cc(-c3cccc(I)c3F)c2)C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
MAPK14 Q16539 7/20 0.42
CYP2C9 P11712 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6640156 0.85 GRM5 (0.41) GRM5MAPK14CYP2C9HDAC6KAT8
SCHEMBL6640151 0.85 GRM5 (0.41) GRM5MAPK14CYP2C9HDAC6KAT8
SCHEMBL6835075 0.83 GRM5 (0.38) GRM5MAPK14HDAC6KAT8MEN1
SCHEMBL6638121 0.78 KMT2A (0.49) KMT2A
SCHEMBL8393362 0.68 SMN1; SMN2 (0.68) HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL6638634 0.67 KDM4E (0.56) GRM5KMT2ASMN1; SMN2
SCHEMBL24834873 0.66 GRM5 (0.75) GRM5MEN1KMT2ASMN1; SMN2
SCHEMBL24448890 0.65 GRM5 (0.55) GRM5MEN1KMT2ASMN1; SMN2
SCHEMBL8391563 0.65 SMN1; SMN2 (0.73) HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL6637781 0.65 SMN1; SMN2 (0.54) MAPK14HDAC6MEN1KMT2ASMN1; SMN2

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-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 GRM5 2788/4885MAPK14 3605/4885CYP2C9 610/4885

“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.