SCHEMBL4871107

SCHEMBL4871107

CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PTPN7 P35236 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
DUSP3 P51452 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP1 P29466 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL7680995 0.88 CASP1 (0.53) CASP1CASP3
SCHEMBL4862836 0.85 CTSL (0.43) ALDH1A1CASP1CTSKCTSLCTSB
SCHEMBL6345894 0.84 DPP4 (0.42)
SCHEMBL7683966 0.84 CASP1 (0.49) CASP1CASP3
SCHEMBL4868220 0.83 ATM (0.43) ATMMEN1LMNAKMT2AALDH1A1
SCHEMBL7686487 0.81 CASP1 (0.53) CASP1CASP3
SCHEMBL7686252 0.81 CASP1 (0.46) CASP1CASP3
SCHEMBL7679831 0.81 CASP1 (0.47) CASP1CASP3
Trifluoroacetic Acid SCHEMBL4871084 0.81 DPP4 (0.40)
SCHEMBL7682300 0.80 CASP1 (0.50) ATMCASP1

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 ATM 195/4885MEN1 1707/4885LMNA 3205/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 ATM 163/4885MEN1 1251/4885LMNA 3302/4885

“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.