SCHEMBL9909263

SCHEMBL9909263

COC(=O)c1ccc2c(Cl)cnc(-c3c(F)cccc3OC)c2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.60
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
GABRA1 P14867 1/20 0.42
CTSA P10619 2/20 0.42
SCN9A Q15858 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PYGL P06737 1/20 0.41
HSP90AA1 P07900 1/20 0.40
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL9909298 0.92 HTR5A (0.49) HTR5AKCNQ3KCNQ2MEN1NPC1
SCHEMBL9909268 0.90 HTR5A (0.61) HTR5AKCNQ3KCNQ2AURKAAURKB
SCHEMBL9104780 0.90 HTR5A (0.72) HTR5AKCNQ3KCNQ2AURKAAURKB
SCHEMBL9907660 0.90 HTR5A (0.60) HTR5AMAPT
SCHEMBL9907656 0.88 HTR5A (0.61) HTR5A
SCHEMBL9907999 0.88 HTR5A (0.48) HTR5ACTSAMEN1NPC1MAPT
SCHEMBL9909293 0.87 HTR5A (0.60) HTR5AKCNQ3KCNQ2CTSASCN9A
SCHEMBL9909312 0.87 HTR5A (0.47) HTR5AKCNQ3KCNQ2CTSASCN9A
SCHEMBL9909309 0.85 HTR5A (0.84) HTR5A
SCHEMBL15500531 0.84 HTR5A (0.44) HTR5AKCNQ3KCNQ2SCN9AMEN1

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 1/4885KCNQ3 422/4885KCNQ2 381/4885

“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.