SCHEMBL12365340

SCHEMBL12365340

COC(=O)c1ccc2c(c1)C(c1c(F)cc(Cl)cc1F)=CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.42
▸ MAPT P10636 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ ACLY P53396 1/20 0.39
▸ PDK2 Q15119 1/20 0.37
▸ WDR5 P61964 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL12365237 0.92 MAPK14 (0.47) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12365757 0.90 MEN1 (0.40) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12365386 0.89 MAPK14 (0.41) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12365419 0.89 MAPK14 (0.43) MAPK14KMT2APDK2ALDH1A1L3MBTL1
SCHEMBL12365439 0.89 MAPK14 (0.43) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12365301 0.88 MAPK14 (0.43) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12365832 0.87 MAPK14 (0.44) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12366152 0.87 MAPK14 (0.41) MAPK14PDK2CA12CA1CA2
SCHEMBL12365807 0.86 MAPK14 (0.47) MAPK14MAPTCASP3MEN1KMT2A
SCHEMBL12365948 0.85 MAPK14 (0.45) MAPK14MAPTMEN1KMT2APDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPK14 3304/4885MAPT 463/4885CASP3 1952/4885

“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.

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