SCHEMBL4868588

SCHEMBL4868588

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.44
KCNJ6 P48051 4/20 0.44
KCNJ5 P48544 4/20 0.44
KCNJ3 P48549 4/20 0.44
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40

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 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL14157980 0.91 TRPV1 (0.39) ALDH1A1TSHRTAOK1TAOK3
SCHEMBL4867428 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDKCNJ6
SCHEMBL4870057 0.82 HPGD (0.59) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL4866338 0.80 KMT2A (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL4864503 0.80 KMT2A (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL5848743 0.80 TAOK1 (0.43) MEN1KMT2AALDH1A1POLBTAOK1
SCHEMBL6867039 0.80 TAOK1 (0.43) MEN1KMT2AALDH1A1POLBTAOK1
SCHEMBL5848493 0.80 TAOK1 (0.43) MEN1KMT2AALDH1A1POLBTAOK1
SCHEMBL5850513 0.80 TAOK1 (0.43) MEN1KMT2AALDH1A1POLBTAOK1

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 MEN1 1707/4885KMT2A 4568/4885ALDH1A1 3847/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 MEN1 1251/4885KMT2A 4457/4885ALDH1A1 3366/4885

“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.