SCHEMBL12389608

SCHEMBL12389608

COc1ccc(C2=CCCc3ccc(C(=O)O)cc32)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ MPO P05164 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ XDH P47989 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ELANE P08246 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CLK1 P49759 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
SCHEMBL12366747 0.86 HTR7 (0.39) MPONPC1RAB9AMAPT
SCHEMBL12389818 0.85 SRD5A2 (0.37) CA1
SCHEMBL12389015 0.84 LMNA (0.49) KDM4EMPOCA1CA2LMNA
SCHEMBL12365047 0.84 KDM4E (0.46) KDM4EMPOCA1CA2LMNA
SCHEMBL12389206 0.83 SRD5A2 (0.48) —
SCHEMBL12365375 0.83 KDM4E (0.45) KDM4EMPOPRKAB2PRKAG1PRKAA2
SCHEMBL12389029 0.83 MAPK14 (0.41) MEN1KMT2A
SCHEMBL12389573 0.82 SRD5A2 (0.46) KMT2A
SCHEMBL12365323 0.81 KDM4E (0.43) KDM4EMPOCA1CA2LMNA
SCHEMBL12365837 0.81 KDM4E (0.45) KDM4EMPOCA1CA2LMNA

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 1 patent. 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

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 KDM4E 1455/4885MPO 1921/4885PRKAB2 3478/4885

“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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