SCHEMBL9909293

SCHEMBL9909293

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.60
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
SMN1; SMN2 Q16637 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
HSP90AA1 P07900 1/20 0.40
TP53 P04637 1/20 0.39
SCN9A Q15858 1/20 0.39
CTSA P10619 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL9907691 0.92 HTR5A (0.60) HTR5ATP53NR1H2NR1H3NR1H4
SCHEMBL12875044 0.90 HTR5A (0.61) HTR5AKCNQ3KCNQ2RAB9AHSP90AA1
SCHEMBL9907516 0.90 HTR5A (0.67) HTR5AMAPTTP53NR1H2NR1H3
SCHEMBL9104780 0.90 HTR5A (0.72) HTR5AKCNQ3KCNQ2MEN1MAPT
SCHEMBL9907753 0.88 HTR5A (0.59) HTR5ATP53NR1H2NR1H3NR1H4
SCHEMBL9909263 0.87 HTR5A (0.60) HTR5AKCNQ3KCNQ2SMN1; SMN2MEN1
SCHEMBL9909298 0.85 HTR5A (0.49) HTR5AKCNQ3KCNQ2SMN1; SMN2MEN1
SCHEMBL9907964 0.85 HTR5A (0.84) HTR5A
SCHEMBL9907517 0.84 HTR5A (0.63) HTR5ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9907660 0.84 HTR5A (0.60) HTR5AMAPTTP53NR1H2NR1H3

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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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.