SCHEMBL9908009

SCHEMBL9908009

COC(=O)c1ccc2c(C3CC3)cnc(-c3c(F)cccc3Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.52
MAPK14 Q16539 2/20 0.42
GCK P35557 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL9908011 0.88 HTR5A (0.55) HTR5ANR1H4
SCHEMBL9907660 0.87 HTR5A (0.60) HTR5AMAPK14ALDH1A1PTGESTP53
SCHEMBL9907516 0.87 HTR5A (0.67) HTR5AMAPK14ALDH1A1PTGESTP53
SCHEMBL9907743 0.85 HTR5A (0.58) HTR5AMAPK14ALDH1A1PTGESTP53
SCHEMBL9907742 0.84 HTR5A (0.55) HTR5AMAPK14ALDH1A1PTGESTP53
SCHEMBL9908028 0.83 HTR5A (0.54) HTR5AMAPK14ALDH1A1PTGESTP53
SCHEMBL9908043 0.83 HTR5A (0.77) HTR5A
SCHEMBL9907691 0.82 HTR5A (0.60) HTR5ATP53NR1H4
SCHEMBL9907517 0.79 HTR5A (0.63) HTR5AALDH1A1KMT2A
SCHEMBL9907753 0.79 HTR5A (0.59) HTR5AALDH1A1TP53NR1H4

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 5 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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 1/4885MAPK14 3810/4885GCK 3852/4885

“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.