SCHEMBL6344884

SCHEMBL6344884

COC(=O)c1cccc2nc(CC(C)=O)oc(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.44
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6343029 0.80 ELANE (0.68) ELANE
SCHEMBL914985 0.74 F7 (0.46) ELANETSHRKDM4EALDH1A1HPGD
SCHEMBL914363 0.73 KDM4E (0.52) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL5370167 0.73 ELANE (0.68) ELANEKMT2A
SCHEMBL916008 0.72 ELANE (0.61) ELANEKDM4EALDH1A1HPGDKMT2A
SCHEMBL913508 0.72 ALDH1A1 (0.53) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL61188 0.67 TNKS2 (0.50) TSHRKDM4EALDH1A1HPGDGAA
SCHEMBL51858 0.67 KDM4E (0.41) TSHRKDM4EALDH1A1HPGDGAA
SCHEMBL6339961 0.67 KDM4E (0.46) ELANEKDM4EALDH1A1HPGDKMT2A
SCHEMBL9545131 0.66 KDM4E (0.48) TSHRKDM4EALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 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 (1 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 ELANE 1412/4885TSHR 3782/4885KDM4E 1741/4885

“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.