SCHEMBL9908015

SCHEMBL9908015

COC(=O)c1ccc2c(Cl)cnc(-c3cccc(C)c3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.45
TP53 P04637 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CSNK2A1 P68400 2/20 0.38
RORC P51449 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
LCK P06239 1/20 0.38
GRIN2B Q13224 1/20 0.37
MAPK14 Q16539 1/20 0.37
GABRA5 P31644 2/20 0.36
CTSA P10619 1/20 0.36

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
SCHEMBL9907751 0.91 HTR5A (0.47) HTR5ATP53NR1H2NR1H3CSNK2A1
SCHEMBL9907699 0.90 HTR5A (0.51) HTR5ATP53CSNK2A1RORCMAPK14
SCHEMBL9907758 0.89 HTR5A (0.43) HTR5ATP53NR1H2NR1H3CSNK2A1
SCHEMBL9908016 0.88 HTR5A (0.47) HTR5ARORCGRIN2BCTSA
SCHEMBL9908018 0.87 HTR5A (0.50) HTR5ATP53CSNK2A1RORCMAPK14
SCHEMBL9907687 0.86 HTR5A (0.51) HTR5ATP53CSNK2A1RORCMAPK14
SCHEMBL9907674 0.85 HTR5A (0.52) HTR5ACSNK2A1RORCMAPK14
SCHEMBL9907989 0.85 TP53 (0.49) HTR5ATP53NR1H2NR1H3CSNK2A1
SCHEMBL9907766 0.85 HTR5A (0.52) HTR5ATP53NR1H2NR1H3CSNK2A1
SCHEMBL9907656 0.85 HTR5A (0.61) HTR5ATP53NR1H2NR1H3CSNK2A1

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 6 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
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 3013/4885NR1H2 705/4885

“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.