SCHEMBL12390243

SCHEMBL12390243

COC(=O)c1ccc2c(c1)C(c1ccc(OC)c(C#N)c1)=CCC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ F11 P03951 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL12389833 0.91 F11 (0.43) ALDH1A1F11S1PR1
SCHEMBL12389797 0.88 MAPK14 (0.39) NAMPT
SCHEMBL12389768 0.87 MAPT (0.49) ALDH1A1MAPTKMT2A
SCHEMBL12389312 0.85 DRD2 (0.36) ALDH1A1F11S1PR1
SCHEMBL12365043 0.85 MAPT (0.41) NR1H4ALDH1A1MAPTKMT2A
SCHEMBL12365024 0.84 RARA (0.43) NAMPT
SCHEMBL12389598 0.82 NAMPT (0.43) MAPTNAMPTKMT2A
SCHEMBL12365347 0.81 MAPT (0.38) ALDH1A1MAPTKMT2A
SCHEMBL12390194 0.81 PLAU (0.43) NAMPT
SCHEMBL12388910 0.81 PDK2 (0.40) ALDH1A1NAMPT

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
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NR1H4 223/4885ALDH1A1 934/4885F11 4332/4885

“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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