SCHEMBL9909287

SCHEMBL9909287

COc1ccc(-c2c(Cl)cnc3ccc(C(=O)N=C(N)N)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 15/20 0.59
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MAP4K4 O95819 1/20 0.41

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
SCHEMBL12875066 0.89 HTR5A (0.48) HTR5APLGPLAUALDH1A1CYP1A2
SCHEMBL9907871 0.88 HTR5A (0.62) HTR5APLGPLAU
SCHEMBL9909246 0.88 HTR5A (0.66) HTR5A
SCHEMBL9907855 0.86 HTR5A (0.75) HTR5A
SCHEMBL9907856 0.85 HTR5A (0.65) HTR5APLAU
SCHEMBL9909248 0.85 HTR5A (0.77) HTR5A
SCHEMBL9909183 0.84 ALDH1A1 (0.50) PLGPLAUALDH1A1CYP1A2CYP3A4
SCHEMBL9909182 0.83 CA1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9909249 0.83 HTR5A (0.59) HTR5APLGPLAU
SCHEMBL9907876 0.83 HTR5A (0.59) HTR5APLAU

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885PLG 3328/4885PLAU 3322/4885

“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.