SCHEMBL4864784

SCHEMBL4864784

CC(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)Cn1c(-c2ccccc2)noc1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
TSHR P16473 1/20 0.47
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
GPR132 Q9UNW8 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
MAOB P27338 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL4870638 0.95 CTSS (0.47) KMT2ACTSSCTSKCTSLTSHR
SCHEMBL4871055 0.91 CTSK (0.46) KMT2ACTSSCTSKCTSLPPARD
SCHEMBL4872595 0.91 GPR132 (0.51) KMT2ACTSKTSHRGPR132
SCHEMBL4867468 0.88 KMT2A (0.57) KMT2ACTSSCTSKCTSLTSHR
SCHEMBL4870124 0.87 GPR132 (0.47) KMT2ACTSKTSHRGPR132ALDH1A1
SCHEMBL14158092 0.86 CTSK (0.53) CTSSCTSKCTSL
SCHEMBL4871196 0.83 GPR132 (0.48) CTSKGPR132
SCHEMBL4867859 0.83 KMT2A (0.52) KMT2ACTSSCTSKCTSLTSHR
SCHEMBL4863630 0.83 CTSK (0.45) KMT2ACTSKTSHRALDH1A1
SCHEMBL14158033 0.81 CTSK (0.54) CTSSCTSKCTSL

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 8 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-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 KMT2A 4568/4885CTSS 4/4885CTSK 138/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 KMT2A 4457/4885CTSS 13/4885CTSK 396/4885

“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.