SCHEMBL9907992

SCHEMBL9907992

COC(=O)c1ccc2c(Cl)cnc(-c3cccc(F)c3O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.50
RORC P51449 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACLY P53396 1/20 0.39
LCK P06239 1/20 0.38
CSNK2A1 P68400 2/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MAP2K4 P45985 1/20 0.38

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
SCHEMBL9907687 0.90 HTR5A (0.51) HTR5ARORCNPC1RAB9ACSNK2A1
SCHEMBL9907699 0.90 HTR5A (0.51) HTR5ARORCNPC1RAB9ACSNK2A1
SCHEMBL9907674 0.90 HTR5A (0.52) HTR5ARORCNPC1RAB9ACSNK2A1
SCHEMBL9107174 0.90 HTR5A (0.43) HTR5ARORCLCKCSNK2A1ALDH1A1
SCHEMBL9908018 0.89 HTR5A (0.50) HTR5ARORCNPC1RAB9ACSNK2A1
SCHEMBL9907715 0.87 HTR5A (0.54) HTR5ARORCACLYLCKCSNK2A1
SCHEMBL9907751 0.87 HTR5A (0.47) HTR5ARORCCSNK2A1MAPK14ALDH1A1
SCHEMBL9907993 0.86 HTR5A (0.54) HTR5ARORC
SCHEMBL9908020 0.85 HTR5A (0.48) HTR5AACLYCSNK2A1KMT2AMAP2K4
SCHEMBL9908015 0.85 HTR5A (0.45) HTR5ARORCLCKCSNK2A1MAPK14

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 1/4885RORC 3704/4885NPC1 753/4885

“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.