SCHEMBL5149055

SCHEMBL5149055

COCOc1ccc(/C=C/C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
KDM4E B2RXH2 2/20 0.47
RELA Q04206 2/20 0.40
PTPN1 P18031 1/20 0.40
ESR1 P03372 2/20 0.39
AHR P35869 2/20 0.39
KDR P35968 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 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
SCHEMBL5149056 1.00 FDPS (0.49) FDPSKDM4ERELAPTPN1ESR1
SCHEMBL12567393 0.83 RELA (0.53) RELAPTPN1ESR1AHRTUBB4A
SCHEMBL4693722 0.83 RELA (0.53) RELAPTPN1ESR1AHRTUBB4A
SCHEMBL4693719 0.83 RELA (0.53) RELAPTPN1ESR1AHRTUBB4A
SCHEMBL21457604 0.82 RELA (0.59) FDPSKDM4ERELAESR1AHR
SCHEMBL21457607 0.82 RELA (0.59) FDPSKDM4ERELAESR1AHR
SCHEMBL442274 0.80 KDM4E (0.57) FDPSKDM4ERELAESR1AHR
SCHEMBL442275 0.80 KDM4E (0.57) FDPSKDM4ERELAESR1AHR
SCHEMBL14629668 0.79 FDPS (0.47) FDPSKDM4ECHRNA7
SCHEMBL12203894 0.78 ALDH1A1 (0.61) KDM4ERELAPTPN1ESR1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 FDPS 1956/4885KDM4E 2038/4885RELA 1913/4885

“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.