SCHEMBL4871059

SCHEMBL4871059

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)Cn1c(-c2ccccn2)noc1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ACKR3 P25106 3/20 0.36
ADAM17 P78536 2/20 0.36
PRCP P42785 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CTSK P43235 2/20 0.35

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
SCHEMBL4869799 1.00 KDM4E (0.39) KDM4EALDH1A1NPSR1MAPK1SMN1; SMN2
SCHEMBL4864503 0.92 KMT2A (0.45) KDM4EALDH1A1KMT2AADAM17CTSK
SCHEMBL4866338 0.92 KMT2A (0.45) KDM4EALDH1A1KMT2AADAM17CTSK
SCHEMBL4868849 0.87 KMT2A (0.41) ALDH1A1KMT2AACKR3
SCHEMBL4862932 0.87 KMT2A (0.41) ALDH1A1KMT2AACKR3
SCHEMBL14157985 0.86 CTSK (0.37) KDM4EALDH1A1NPSR1CCNA2CDK2
SCHEMBL4864391 0.85 SMN1; SMN2 (0.52) KDM4EALDH1A1NPSR1MAPK1SMN1; SMN2
SCHEMBL4868373 0.85 KMT2A (0.45) SMN1; SMN2KMT2APRCPCTSK
SCHEMBL4870879 0.80 PRCP (0.40) KDM4EALDH1A1NPSR1MAPK1SMN1; SMN2
SCHEMBL4871055 0.77 CTSK (0.46) KMT2ACTSK

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 claimed
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 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

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 KDM4E 3916/4885ALDH1A1 3847/4885NPSR1 305/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 KDM4E 2973/4885ALDH1A1 3366/4885NPSR1 173/4885

“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.