SCHEMBL9907602

SCHEMBL9907602

[C-]#[N+]c1ccc(-c2c(Cl)cnc3ccc(C(=O)OC)cc23)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.52
CSNK2A1 P68400 2/20 0.36
TP53 P04637 2/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
ACLY P53396 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RORC P51449 1/20 0.34
CREBBP Q92793 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL9907567 0.89 HTR5A (0.41) HTR5ACSNK2A1TP53PAX8MAPT
SCHEMBL9907603 0.88 HTR5A (0.55) HTR5ACSNK2A1MAPTRORC
SCHEMBL9103249 0.86 HTR5A (0.67) HTR5ACSNK2A1MAPTHTTMEN1
SCHEMBL9907595 0.85 HTR5A (0.55) HTR5ACSNK2A1TP53PAX8MAPT
SCHEMBL9909256 0.85 HTR5A (0.54) HTR5ACSNK2A1TP53PAX8ALOX15
SCHEMBL9907566 0.84 CSNK2A1 (0.39) HTR5ACSNK2A1TP53PAX8MAPT
SCHEMBL9907491 0.83 HTR5A (0.52) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907890 0.82 HTR5A (0.77) HTR5A
SCHEMBL9925448 0.82 HTR5A (0.52) HTR5ACSNK2A1TP53MEN1KMT2A
SCHEMBL9907580 0.81 HTR5A (0.50) HTR5ACSNK2A1TP53PAX8MAPT

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 1/4885CSNK2A1 4309/4885TP53 3013/4885

“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.