SCHEMBL9907998

SCHEMBL9907998

COC(=O)c1ccc2c(Cl)cnc(-c3c(F)cc(OC)cc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.52
CSNK2A1 P68400 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACLY P53396 1/20 0.38
CTSA P10619 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL9907437 0.91 HTR5A (0.54) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907997 0.90 HTR5A (0.53) HTR5AACLYCTSA
SCHEMBL9105219 0.88 HTR5A (0.54) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907994 0.87 HTR5A (0.53) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907660 0.84 HTR5A (0.60) HTR5ACSNK2A1NR1H2NR1H3MAPT
SCHEMBL9908035 0.84 HTR5A (0.76) HTR5A
SCHEMBL9909312 0.84 HTR5A (0.47) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9909263 0.84 HTR5A (0.60) HTR5AMEN1MAPTKMT2ACTSA
SCHEMBL9908008 0.83 HTR5A (0.51) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907656 0.82 HTR5A (0.61) HTR5ACSNK2A1NR1H2NR1H3ALDH1A1

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 1/4885CSNK2A1 4309/4885NR1H2 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.