SCHEMBL9907735

SCHEMBL9907735

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.59
KMO O15229 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.42
RORC P51449 2/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
AURKA O14965 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
SCHEMBL9907756 0.91 HTR5A (0.50) HTR5AKMOMRGPRX4RORCCSNK2A1
SCHEMBL9907694 0.90 HTR5A (0.59) HTR5ARORCCSNK2A2CSNK2BAURKA
SCHEMBL9907640 0.90 HTR5A (0.71) HTR5ARORCCSNK2A2CSNK2BAURKA
SCHEMBL9907719 0.89 HTR5A (0.58) HTR5ARORCCSNK2A2CSNK2BAURKA
SCHEMBL9907764 0.89 HTR5A (0.57) HTR5ACSNK2A1CSNK2A2CSNK2B
SCHEMBL9907734 0.86 HTR5A (0.55) HTR5ARORCCSNK2A2CSNK2B
SCHEMBL9907726 0.86 HTR5A (0.55) HTR5ARORCCSNK2A1
SCHEMBL9907695 0.86 HTR5A (0.65) HTR5ARORCAURKA
SCHEMBL9907729 0.85 HTR5A (0.55) HTR5AKMORORCCSNK2A2CSNK2B
SCHEMBL9907962 0.84 HTR5A (0.84) HTR5A

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 1/4885KMO 559/4885MRGPRX4 1163/4885

“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.