SCHEMBL12366334

SCHEMBL12366334

N#Cc1ccc(C2=CCOc3ccc(C(=O)N=C(N)N)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTR2B P41595 7/20 0.38
▸ HTR7 P34969 5/20 0.38
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ KDM1A O60341 2/20 0.34

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
SCHEMBL12366974 0.89 CYP3A4 (0.39) SLC9A1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12366388 0.86 HTR2B (0.40) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366337 0.85 HTR7 (0.37) SLC9A1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12366373 0.85 HTR2B (0.45) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366341 0.85 SLC9A1 (0.41) SLC9A1HTR2BHTR7RARARARB
SCHEMBL2259569 0.85 SLC9A1 (0.41) SLC9A1CYP3A4CYP2C9CYP2C19HTR2B
SCHEMBL12366354 0.85 HTR2B (0.44) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366329 0.85 HTR2B (0.47) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12389787 0.85 KDM1A (0.35) SLC9A1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12389044 0.84 RARA (0.48) RARARARBRARGMAPTSMN1; SMN2

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 1693/4885CYP3A4 1108/4885CYP2C9 356/4885

“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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