Sugi Predict

Sugi Predict / Compounds / SCHEMBL9109070

SCHEMBL9109070

SCHEMBL9109070

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 9/20 0.50
▸ ERN1 O75460 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ MAP2K4 P45985 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37

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
SCHEMBL9107764 0.91 HTR5A (0.53) HTR5AERN1ALDH1A1HTTALOX15
SCHEMBL9907780 0.91 HTR5A (0.53) HTR5AERN1ALDH1A1HTTMAP2K4
SCHEMBL12874614 0.90 HTR5A (0.54) HTR5AALDH1A1HTTMEN1TNF
SCHEMBL9105887 0.90 HTR5A (0.49) HTR5AERN1ALDH1A1HTTMEN1
SCHEMBL9907502 0.86 HTR5A (0.67) HTR5AALDH1A1HTTMEN1TNF
SCHEMBL9907437 0.85 HTR5A (0.54) HTR5AALDH1A1HTTMEN1TNF
SCHEMBL9102359 0.85 HTR5A (0.51) HTR5AALDH1A1HTTMEN1TNF
SCHEMBL9107488 0.84 HTR5A (0.50) HTR5AALDH1A1HTTMEN1TNF
SCHEMBL9907776 0.83 HTR5A (0.54) HTR5AERN1ALDH1A1HTTMAPT
SCHEMBL9107456 0.83 HTR5A (0.49) HTR5AALDH1A1HTTMEN1TNF

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 9 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
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 1/4885ERN1 4720/4885ALDH1A1 1799/4885

“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.