SCHEMBL12365405

SCHEMBL12365405

COC(=O)c1ccc2c(c1)C(c1cccc(F)c1F)=CCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ IL2 P60568 2/20 0.39
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12364995 0.91 PDK2 (0.45) MAPK14PDK2NPC1RAB9AIL2
SCHEMBL12365389 0.91 MAPK14 (0.45) MAPK14PDK2ALDH1A1KMT2A
SCHEMBL12365674 0.90 IL2 (0.43) MAPK14PDK2NPC1RAB9AIL2
SCHEMBL12365830 0.90 PDK2 (0.40) MAPK14PDK2NPC1IL2HCRTR1
SCHEMBL12365865 0.90 PDK2 (0.43) MAPK14PDK2NPC1RAB9AIL2
SCHEMBL12365424 0.89 MAPK14 (0.41) MAPK14PDK2ALDH1A1
SCHEMBL12390275 0.89 PDK2 (0.42) MAPK14PDK2NPC1RAB9AIL2
SCHEMBL12390109 0.89 MAPK14 (0.40) MAPK14PDK2NPC1RAB9AHCRTR1
SCHEMBL12365419 0.88 MAPK14 (0.43) MAPK14PDK2NPC1RAB9AIL2
SCHEMBL12365958 0.87 MAPK14 (0.39) MAPK14PDK2NPC1RAB9AIL2

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 3304/4885PDK2 3920/4885NPC1 1519/4885

“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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