SCHEMBL4874033

SCHEMBL4874033

CC(C)C[C@H](NC(=O)CCC1CCCC1)C(=O)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.51
KCNJ3 P48549 8/20 0.51
KCNJ5 P48544 6/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4867428 0.83 MEN1 (0.51) KCNJ6KCNJ3KCNJ5MEN1KMT2A
SCHEMBL4867905 0.81 ALDH1A1 (0.53) KCNJ6KCNJ3KCNJ5MEN1KMT2A
SCHEMBL4870057 0.80 HPGD (0.59) KCNJ6KCNJ3MEN1KMT2AHTT
SCHEMBL4868299 0.78 MEN1 (0.45) KCNJ6KCNJ3KCNJ5MEN1KMT2A
SCHEMBL4864524 0.77 MEN1 (0.56) KCNJ6KCNJ3MEN1KMT2AHTT
SCHEMBL5848714 0.76 POLB (0.43) MEN1KMT2AALDH1A1MAPT
SCHEMBL5848152 0.76 POLB (0.43) MEN1KMT2AALDH1A1MAPT
SCHEMBL5849886 0.75 ALDH1A1 (0.45) MEN1KMT2APKMALDH1A1GAA
SCHEMBL14158096 0.75 MEN1 (0.52) KCNJ6KCNJ3MEN1KMT2AHTT
SCHEMBL4912638 0.75 MEN1 (0.52) KCNJ6KCNJ3MEN1KMT2AHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900207-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-31 US claimed
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-14 US claimed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-07-28 US disclosed
US-6900207-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-14 US disclosed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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 (2 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-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ACIN1, CASP7, CASP10 KCNJ6 4425/4885KCNJ3 4389/4885KCNJ5 3890/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 KCNJ6 4343/4885KCNJ3 4291/4885KCNJ5 3782/4885

“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.