SCHEMBL4867428

SCHEMBL4867428

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNJ6 P48051 4/20 0.48
KCNJ5 P48544 4/20 0.48
KCNJ3 P48549 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PSMB5 P28074 1/20 0.47
PKM P14618 1/20 0.46
TP53 P04637 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
SCHEMBL4868299 0.84 MEN1 (0.45) MEN1KMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL4868588 0.84 MEN1 (0.45) MEN1KMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL4874033 0.83 KCNJ6 (0.51) MEN1KMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL4870057 0.82 HPGD (0.59) MEN1KMT2AKCNJ6KCNJ3ALDH1A1
SCHEMBL4864524 0.78 MEN1 (0.56) MEN1KMT2AKCNJ6KCNJ3ALDH1A1
SCHEMBL14157978 0.78 CTSK (0.47) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL4912638 0.77 MEN1 (0.52) MEN1KMT2AKCNJ6KCNJ3ALDH1A1
SCHEMBL14158096 0.77 MEN1 (0.52) MEN1KMT2AKCNJ6KCNJ3ALDH1A1
SCHEMBL4871089 0.76 KMT2A (0.49) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4867905 0.75 ALDH1A1 (0.53) MEN1KMT2AKCNJ6KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 1707/4885KMT2A 4568/4885MAPK1 1958/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 MEN1 1251/4885KMT2A 4457/4885MAPK1 749/4885

“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.