SCHEMBL4864722

SCHEMBL4864722

CC(C)C[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)Cn1c(-c2ccccn2)noc1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.45
CTSK P43235 1/20 0.45
ICMT O60725 1/20 0.40
AKR1C3 P42330 3/20 0.39
TSHR P16473 1/20 0.38
ANPEP P15144 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 2/20 0.36
KIFC1 Q9BW19 1/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4863630 0.87 CTSK (0.45) SGMS2CTSKICMTAKR1C3TSHR
SCHEMBL4871055 0.87 CTSK (0.46) CTSKKMT2ACASP1CASP3CASP7
SCHEMBL4871196 0.86 GPR132 (0.48) CTSK
SCHEMBL4868373 0.86 KMT2A (0.45) CTSKTSHRKMT2A
SCHEMBL14158243 0.83 CTSK (0.49) CTSK
SCHEMBL14158219 0.78 CASP1 (0.44) TSHRNPC1KMT2ACASP1CASP3
SCHEMBL4864784 0.78 KMT2A (0.50) CTSKTSHRKMT2A
SCHEMBL4872595 0.77 GPR132 (0.51) CTSKTSHRKMT2A
SCHEMBL4868249 0.76 ALDH1A1 (0.41) CTSKTSHRKMT2AMEN1
SCHEMBL14158214 0.76 CTSK (0.41) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SGMS2 2377/4885CTSK 138/4885ICMT 3038/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 SGMS2 2875/4885CTSK 396/4885ICMT 2626/4885

“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.