SCHEMBL9102282

SCHEMBL9102282

COC(=O)c1ccc2c(C#N)cnc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.48
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TNF P01375 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
MAP2K4 P45985 1/20 0.38
PARP1 P09874 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL9907485 0.86 HTR5A (0.49) HTR5AMAP2K4KCNQ3KCNQ2KCNE1
SCHEMBL12874614 0.86 HTR5A (0.54) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9907502 0.84 HTR5A (0.67) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9105887 0.83 HTR5A (0.49) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9102359 0.83 HTR5A (0.51) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9907437 0.83 HTR5A (0.54) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL10030417 0.82 PARP1 (0.40) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9107488 0.82 HTR5A (0.50) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9109070 0.82 HTR5A (0.50) HTR5AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL9107456 0.81 HTR5A (0.49) HTR5AHPGDLMNAMAPTSMN1; SMN2

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 8 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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
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 1/4885HPGD 1267/4885LMNA 4287/4885

“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.