SCHEMBL12366355

SCHEMBL12366355

COc1ccc(C2=CCOc3ccc(C(=O)N=C(N)N)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SLC9A1 P19634 3/20 0.40
▸ HTR7 P34969 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ PARP4 Q9UKK3 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 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
SCHEMBL12366401 0.89 SLC9A1 (0.50) NPC1RAB9ASLC9A1HTR7HTR2B
SCHEMBL12366341 0.88 SLC9A1 (0.41) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL12366388 0.86 HTR2B (0.40) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL12366412 0.86 SLC9A1 (0.40) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL12366354 0.85 HTR2B (0.44) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL2259569 0.85 SLC9A1 (0.41) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL12366373 0.85 HTR2B (0.45) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL12366329 0.85 HTR2B (0.47) SLC9A1HTR7HTR2BDRD2ADRA1D
SCHEMBL2263536 0.84 HTR5A (0.39) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL12365123 0.84 RARA (0.47) NPC1RAB9ASMN1; SMN2MAPTMAP4K4

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 3 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
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 NPC1 1519/4885RAB9A 430/4885SMN1; SMN2 3728/4885

“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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