SCHEMBL12366383

SCHEMBL12366383

Cc1cccc(C2=CCOc3ccc(C(=O)N=C(N)N)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 6/20 0.46
▸ HTR2B P41595 9/20 0.40
▸ HTR7 P34969 8/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL12366404 0.88 HTR2B (0.43) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366341 0.88 SLC9A1 (0.41) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366329 0.88 HTR2B (0.47) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366378 0.87 SLC9A1 (0.46) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366381 0.87 SLC9A1 (0.46) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366401 0.86 SLC9A1 (0.50) SLC9A1HTR2BHTR7NPC1PKM
SCHEMBL12366373 0.85 HTR2B (0.45) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366414 0.85 HTR2B (0.48) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12390049 0.84 SLC9A1 (0.49) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12365225 0.84 RARA (0.47) NPC1MAPTRAB9A

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 SLC9A1 1693/4885HTR2B 7/4885HTR7 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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