SCHEMBL4868229

SCHEMBL4868229

CC(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
CTSL P07711 1/20 0.51
POLB P06746 2/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4867898 0.90 GPR132 (0.54) CTSKSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4870057 0.87 HPGD (0.59) CTSSCTSKHTTCTSLPOLB
SCHEMBL4871132 0.86 CTSK (0.50) CTSKHTTPOLBKDM4ECTDSP1
SCHEMBL14158080 0.86 CTSK (0.57) CTSSCTSKCTSLMAOBCYP1A2
SCHEMBL14158030 0.80 CTSK (0.57) CTSSCTSKCTSLMEN1KMT2A
SCHEMBL14158019 0.80 CTSK (0.57) CTSSCTSKCTSLCYP1A2CYP2C9
SCHEMBL14158041 0.79 CTSK (0.55) CTSSCTSKCTSLCYP1A2CYP2C9
SCHEMBL4864784 0.79 KMT2A (0.50) CTSSCTSKCTSLMAOBKMT2A
SCHEMBL4866588 0.77 CTSS (0.48) CTSSCTSKCTSL
SCHEMBL14158040 0.77 CTSK (0.52) CTSSCTSKHTTCTSLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSS 4/4885CTSK 138/4885SMN1; SMN2 1845/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CTSS 13/4885CTSK 396/4885SMN1; SMN2 1757/4885

“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.