SCHEMBL4867905

SCHEMBL4867905

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 3/20 0.48
PKM P14618 1/20 0.48
KCNJ6 P48051 2/20 0.47
KCNJ3 P48549 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
TSHR P16473 1/20 0.43
KCNJ5 P48544 1/20 0.43

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
SCHEMBL4870057 0.88 HPGD (0.59) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL4874033 0.81 KCNJ6 (0.51) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL4864524 0.77 MEN1 (0.56) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL14157978 0.77 CTSK (0.47) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL6450720 0.76 MEN1 (0.63) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL6450715 0.76 MEN1 (0.63) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL4868229 0.76 CTSS (0.52) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL4867898 0.76 GPR132 (0.54) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL14158096 0.76 MEN1 (0.52) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL4912638 0.76 MEN1 (0.52) ALDH1A1POLBKMT2AMEN1HPGD

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 ALDH1A1 3847/4885POLB 3408/4885KMT2A 4568/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 ALDH1A1 3366/4885POLB 2981/4885KMT2A 4457/4885

“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.