SCHEMBL9907656

SCHEMBL9907656

COC(=O)c1ccc2c(Cl)cnc(-c3c(C)cccc3F)c2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 13/20 0.61
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSNK2A1 P68400 2/20 0.38
RORC P51449 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
SCHEMBL9907766 0.92 HTR5A (0.52) HTR5ANR1H2NR1H3TP53ALDH1A1
SCHEMBL9907660 0.91 HTR5A (0.60) HTR5ANR1H2NR1H3TP53ALDH1A1
SCHEMBL9907635 0.90 HTR5A (0.59) HTR5ANR1H2
SCHEMBL9909263 0.88 HTR5A (0.60) HTR5A
SCHEMBL9908008 0.88 HTR5A (0.51) HTR5ACSNK2A1
SCHEMBL9907659 0.88 HTR5A (0.64) HTR5ARORC
SCHEMBL9907999 0.87 HTR5A (0.48) HTR5ANR1H2NR1H3TP53CSNK2A1
SCHEMBL9907743 0.87 HTR5A (0.58) HTR5ANR1H2NR1H3TP53ALDH1A1
SCHEMBL9907753 0.87 HTR5A (0.59) HTR5ANR1H2NR1H3TP53ALDH1A1
SCHEMBL9907628 0.85 HTR5A (0.67) HTR5ANR1H2NR1H3ALDH1A1

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 2 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-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 1/4885NR1H2 705/4885NR1H3 911/4885

“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.