SCHEMBL9907682

SCHEMBL9907682

[C-]#[N+]c1ccc(-c2ncc(Cl)c3ccc(C(=O)O)cc23)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.42
PLAU P00749 3/20 0.38
PLG P00747 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
SLC22A12 Q96S37 3/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
RARA P10276 3/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
ADH5 P11766 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9907676 0.88 HTR5A (0.40) HTR5APLAUPLGCSNK2A2CSNK2B
SCHEMBL9907708 0.85 KDM4C (0.47) HTR5APLAUPLGTNKS2CSNK2A2
SCHEMBL9907678 0.83 HTR5A (0.57) HTR5APLAUPLGTNKS2RARA
SCHEMBL9907574 0.81 HTR5A (0.43) HTR5ATNKS2RARARARBRARG
SCHEMBL9907768 0.81 CSNK2A2 (0.52) HTR5APLAUPLGTNKS2SLC22A12
SCHEMBL9907685 0.79 HTR5A (0.47) HTR5APLAUPLGTNKS2SLC22A12
SCHEMBL9907732 0.76 SRD5A2 (0.49) HTR5APLAUPLGKDM4C
SCHEMBL9907769 0.76 HTR5A (0.57) HTR5APLAUPLGADH5
SCHEMBL9908017 0.76 HTR5A (0.54) HTR5APLAUPLGRARARARB
SCHEMBL9908002 0.75 HTR5A (0.45) HTR5APLAUPLGSLC22A12CSNK2A2

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 1/4885PLAU 3322/4885PLG 3328/4885

“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.