SCHEMBL9256043

SCHEMBL9256043

COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-n1cnc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ PSEN1 P49768 6/20 0.61
▸ PSEN2 P49810 6/20 0.61
▸ APH1B Q8WW43 6/20 0.61
▸ NCSTN Q92542 6/20 0.61
▸ APH1A Q96BI3 6/20 0.61
▸ PSENEN Q9NZ42 6/20 0.61
▸ GHSR Q92847 1/20 0.60
▸ CYP17A1 P05093 2/20 0.58
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ PKM P14618 2/20 0.53
▸ MAPT P10636 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL9267815 0.92 PSEN1 (0.57) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8817762 0.87 PSEN1 (0.63) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8818255 0.87 PSEN1 (0.69) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8819517 0.85 PSEN1 (0.69) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL9263280 0.84 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817371 0.84 PSEN1 (0.68) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL9258814 0.83 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817705 0.83 PSEN1 (0.69) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL9265002 0.83 PSEN1 (0.69) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL6122402 0.82 PSEN1 (0.66) MEN1KMT2APSEN1PSEN2APH1B

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP MEN1 4518/4885KMT2A 1883/4885PSEN1 9/4885

“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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