SCHEMBL12389307

SCHEMBL12389307

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.46
▸ SLC9A1 P19634 2/20 0.43
▸ HTR7 P34969 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ MPO P05164 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ MAPT P10636 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
SCHEMBL12366828 0.90 HTR7 (0.42) PLAUSLC9A1HTR7HTR2BDRD2
SCHEMBL12389848 0.89 SLC9A1 (0.43) PLAUSLC9A1HTR7HTR2BDRD2
SCHEMBL12390239 0.89 HTR2B (0.44) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL12366773 0.89 HTR7 (0.41) PLAUSLC9A1HTR7HTR2BDRD2
SCHEMBL2260956 0.87 HTR2B (0.49) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL12366899 0.87 SLC9A1 (0.40) PLAUSLC9A1HTR7HTR2BDRD2
SCHEMBL12390377 0.86 HTR7 (0.39) PLAUSLC9A1HTR7HTR2BDRD2
SCHEMBL12389901 0.86 SLC9A1 (0.47) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL12366747 0.86 HTR7 (0.39) PLAUSLC9A1HTR7HTR2BDRD2
SCHEMBL12390128 0.86 HTR7 (0.42) SLC9A1HTR7HTR2BDRD2ADRA1D

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 PLAU 3632/4885SLC9A1 1693/4885HTR7 13/4885

“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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