SCHEMBL12366644

SCHEMBL12366644

CC1C=C(c2ccsc2)c2cc(C(=O)N=C(N)N)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 13/20 0.39
HTR7 P34969 11/20 0.39
ASIC3 Q9UHC3 1/20 0.35
SLC9A1 P19634 1/20 0.35
CHEK2 O96017 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 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
SCHEMBL12366598 0.84 HTR2B (0.40) HTR2BHTR7SLC9A1DRD2ADRA1D
SCHEMBL12366374 0.84 HTR2B (0.47) HTR2BHTR7SLC9A1DRD2ADRA1D
SCHEMBL12366319 0.84 TDP1 (0.40) CHEK2
SCHEMBL12366547 0.82 SLC9A1 (0.41) HTR2BHTR7SLC9A1
SCHEMBL12366314 0.81 KDM4E (0.39) HTR7
SCHEMBL12366642 0.80 HTR2B (0.41) HTR2BHTR7SLC9A1DRD2ADRA1D
SCHEMBL12366611 0.80 HTR2B (0.39) HTR2BHTR7SLC9A1
SCHEMBL12366492 0.80 SLC9A1 (0.39) HTR2BHTR7SLC9A1
SCHEMBL12366593 0.79 MKNK1 (0.42) HTR2BHTR7SLC9A1CHEK2
SCHEMBL12366604 0.78 HTR5A (0.41) HTR2BHTR7

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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR2B 7/4885HTR7 13/4885ASIC3 3825/4885

“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.