SCHEMBL4864391

SCHEMBL4864391

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Cn1c(-c2ccccn2)noc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 4/20 0.40
PSMB5 P28074 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4871089 0.88 KMT2A (0.49) SMN1; SMN2MAPK1ALDH1A1KDM4ENPSR1
SCHEMBL4870879 0.86 PRCP (0.40) SMN1; SMN2MAPK1ALDH1A1KDM4ENPSR1
SCHEMBL4871059 0.85 KDM4E (0.39) SMN1; SMN2MAPK1ALDH1A1KDM4ENPSR1
SCHEMBL4868373 0.84 KMT2A (0.45) SMN1; SMN2KMT2AL3MBTL1TSHRTDP1
SCHEMBL4867463 0.82 KMT2A (0.46) SMN1; SMN2MAPK1ALDH1A1KDM4ENPSR1
SCHEMBL14158333 0.81 REN (0.40) MAPK1ALDH1A1KDM4ENPSR1LMNA
SCHEMBL14158219 0.80 CASP1 (0.44) SMN1; SMN2MAPK1ALDH1A1RAB9ACYP3A4
SCHEMBL4868249 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AL3MBTL1TSHR
SCHEMBL14158243 0.77 CTSK (0.49) PSMB5
SCHEMBL4864722 0.76 SGMS2 (0.45) KMT2ATSHRMEN1

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 11 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
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 SMN1; SMN2 1845/4885MAPK1 1958/4885ALDH1A1 3847/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 SMN1; SMN2 1757/4885MAPK1 749/4885ALDH1A1 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.