SCHEMBL13598463

SCHEMBL13598463

Cc1ccc(CC(=O)N2CCC(CCN3C(=O)CCc4c(CC5SC(=O)NC5=O)cccc43)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHRM1 P11229 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CCR3 P51677 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL13602468 0.83 GPR119 (0.39) —
SCHEMBL97366 0.83 NMT1 (0.35) CHRM1KCNH2MAPT
SCHEMBL13598451 0.81 CHRM1 (0.35) ALDH1A1CHRM1KCNH2NPSR1
SCHEMBL95362 0.78 DRD2 (0.36) ALDH1A1CHRM1KCNH2NPSR1MAPT
SCHEMBL96366 0.77 HRH3 (0.46) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL13602636 0.77 GRIN2B (0.40) GRIN2BALDH1A1POLBCHRM1KCNH2
SCHEMBL97390 0.74 CHRM1 (0.38) CHRM1KCNH2MAPT
SCHEMBL13598469 0.72 CA2 (0.42) ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL13598449 0.72 FFAR1 (0.44) ALDH1A1POLBCHRM1NPSR1MAPT
SCHEMBL94951 0.69 HRH3 (0.38) CHRM1KCNH2SMN1; 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-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB GRIN2B 1253/4885ALDH1A1 2948/4885POLB 1340/4885

“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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