SCHEMBL9907690

SCHEMBL9907690

COC(=O)c1ccc2c(F)cnc(-c3cccc(Cl)c3Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.55
TP53 P04637 1/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CSNK2A1 P68400 2/20 0.39
MAPK14 Q16539 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL9907724 0.92 HTR5A (0.51) HTR5ARORCCSNK2A1MAPK14
SCHEMBL9907726 0.91 HTR5A (0.55) HTR5ATP53RORCCSNK2A1MAPK14
SCHEMBL9907637 0.91 HTR5A (0.66) HTR5ATP53DGAT2
SCHEMBL9907715 0.90 HTR5A (0.54) HTR5ATP53RORCCSNK2A1MAPK14
SCHEMBL9907698 0.90 HTR5A (0.43) HTR5ATP53RORCALDH1A1KMT2A
SCHEMBL9907691 0.87 HTR5A (0.60) HTR5ATP53CSNK2A1
SCHEMBL9907687 0.87 HTR5A (0.51) HTR5ATP53RORCKMT2ACSNK2A1
SCHEMBL9907694 0.86 HTR5A (0.59) HTR5ARORCDGAT2
SCHEMBL9907516 0.85 HTR5A (0.67) HTR5ATP53ALDH1A1MAPK14
SCHEMBL9907755 0.85 HTR5A (0.53) HTR5AALDH1A1KMT2A

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 4 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
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 1/4885TP53 3013/4885RORC 3704/4885

“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.