SCHEMBL22808478

SCHEMBL22808478

C[C@H](C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.63
▸ RAB9A P51151 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ BCHE P06276 2/20 0.57
▸ ACHE P22303 2/20 0.57
▸ PRMT1 Q99873 1/20 0.56
▸ GAA P10253 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54

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
SCHEMBL14812262 0.89 CRHBP (0.56) SMN1; SMN2MAPTGAACA12CA1
SCHEMBL14812137 0.89 CRHBP (0.56) SMN1; SMN2MAPTGAACA12CA1
SCHEMBL5300654 0.83 RAB9A (0.73) EPHX2RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL17365594 0.82 POLB (0.66) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL7748974 0.82 POLB (0.66) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL8009978 0.81 CNR2 (0.56) EPHX2ALDH1A1MAPTHPGDLMNA
SCHEMBL5189919 0.81 EPHX2 (0.65) EPHX2RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11487355 0.80 MAPT (0.72) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL14599718 0.80 MAPT (0.72) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL1516167 0.79 EPHX2 (1.00) EPHX2RAB9ASMN1; SMN2ALDH1A1MAPT

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-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 — — 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-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 EPHX2 3059/4885RAB9A 1879/4885SMN1; SMN2 2433/4885

“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.

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