SCHEMBL9907990

SCHEMBL9907990

O=C(O)c1ccc2c(Cl)cnc(-c3cc(Cl)ccc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.52
MRGPRX4 Q96LA9 1/20 0.43
PLAU P00749 3/20 0.42
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
MAP2K4 P45985 1/20 0.40
TTR P02766 2/20 0.40
PLG P00747 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL9907718 0.91 HTR5A (0.59) HTR5AMRGPRX4PLAUSRD5A1SRD5A2
SCHEMBL9907750 0.91 HTR5A (0.59) HTR5APLAUCSNK2A1CSNK2A2CSNK2B
SCHEMBL9907749 0.88 HTR5A (0.56) HTR5APLAUPLG
SCHEMBL9907681 0.87 HTR5A (0.56) HTR5APLAUCSNK2A2CSNK2BPLG
SCHEMBL9907732 0.87 SRD5A2 (0.49) HTR5APLAUMAP2K4TTRPLG
SCHEMBL9908020 0.85 HTR5A (0.48) HTR5ACSNK2A1CSNK2A2CSNK2BMAP2K4
SCHEMBL9907993 0.84 HTR5A (0.54) HTR5APLAUCSNK2A2CSNK2BPLG
SCHEMBL9907733 0.84 HTR5A (0.72) HTR5APLAU
SCHEMBL9907696 0.84 HTR5A (0.59) HTR5AMRGPRX4MAP2K4SRD5A1SRD5A2
SCHEMBL9907708 0.84 KDM4C (0.47) HTR5AMRGPRX4PLAUCSNK2A2CSNK2B

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 1/4885MRGPRX4 1163/4885PLAU 3322/4885

“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.