SCHEMBL5411256

SCHEMBL5411256

O=C(NCC1CCCO1)c1ccc(S(=O)(=O)n2nc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 4/20 0.53
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RECQL P46063 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
CXCR3 P49682 1/20 0.48
LMNA P02545 2/20 0.48
NAMPT P43490 3/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5411251 1.00 MEN1 (0.53) MEN1KMT2AHPGDATML3MBTL1
SCHEMBL5413378 1.00 MEN1 (0.53) MEN1KMT2AHPGDATML3MBTL1
SCHEMBL5010366 0.87 CA2 (0.48) SMN1; SMN2CXCR3LMNANAMPTPOLB
SCHEMBL5005889 0.87 LMNA (0.46) HPGDGAASMN1; SMN2TSHRLMNA
SCHEMBL5006331 0.82 USP5 (0.41) MEN1KMT2AHPGDL3MBTL1RECQL
SCHEMBL1413483 0.81 MEN1 (0.54) MEN1KMT2AHPGDATML3MBTL1
SCHEMBL1413484 0.81 MEN1 (0.54) MEN1KMT2AHPGDATML3MBTL1
SCHEMBL4013129 0.80 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1CYP2C9TSHR
SCHEMBL4010049 0.80 GAA (0.53) MEN1KMT2AGAALMNANAMPT
SCHEMBL1413808 0.80 MEN1 (0.51) MEN1KMT2AHPGDATML3MBTL1

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-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 MEN1 157/4885KMT2A 2691/4885HPGD 2824/4885

“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.