SCHEMBL10064022

SCHEMBL10064022

N#Cc1ccc2ccc(C(=O)N=C(N)N)cc2c1-c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.50
HTR2B P41595 12/20 0.44
HTR7 P34969 11/20 0.44
SLC9A1 P19634 3/20 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

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
SCHEMBL10064314 0.87 HTR5A (0.55) HTR5AHTR2BHTR7SLC9A1DRD2
SCHEMBL7923274 0.86 HTR2B (0.47) HTR5AHTR2BHTR7SLC9A1DRD2
SCHEMBL10063695 0.85 HTR5A (0.44) HTR5AHTR2BHTR7
SCHEMBL617233 0.84 HTR5A (0.57) HTR5AHTR2BHTR7SLC9A1
SCHEMBL10063846 0.84 SLC9A1 (0.42) HTR5AHTR2BHTR7SLC9A1DRD2
SCHEMBL10064300 0.83 KDM4E (0.41)
Hydrochloric Acid SCHEMBL617389 0.83 HTR5A (0.56) HTR5AHTR2BHTR7SLC9A1
SCHEMBL10030457 0.80 HTR5A (0.50) HTR5AHTR2BHTR7SLC9A1DRD2
SCHEMBL7919066 0.80 SLC9A1 (0.57) HTR5AHTR2BHTR7SLC9A1DRD2
SCHEMBL615319 0.80 HTR5A (0.53) HTR5AHTR2BHTR7SLC9A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A HTR5A 1/4885HTR2B 6/4885HTR7 11/4885

“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.