SCHEMBL9907517

SCHEMBL9907517

COC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 14/20 0.63
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MAP2K4 P45985 1/20 0.40
KIF11 P52732 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9907635 0.93 HTR5A (0.59) HTR5A
SCHEMBL9104780 0.92 HTR5A (0.72) HTR5AKMT2AMAP2K4RAB9A
SCHEMBL9907516 0.92 HTR5A (0.67) HTR5AALDH1A1
SCHEMBL9107764 0.90 HTR5A (0.53) HTR5AALDH1A1ALOX15HTT
SCHEMBL9907628 0.90 HTR5A (0.67) HTR5AALDH1A1KMT2AMAP2K4KDM4E
SCHEMBL9907626 0.90 HTR5A (0.63) HTR5AMAP2K4
SCHEMBL12874614 0.90 HTR5A (0.54) HTR5AALDH1A1KMT2AMAP2K4HTT
SCHEMBL9907625 0.89 HTR5A (0.51) HTR5AALDH1A1KMT2AMAP2K4KIF11
SCHEMBL9907691 0.89 HTR5A (0.60) HTR5A
SCHEMBL9107379 0.88 HTR5A (0.54) HTR5AALDH1A1KMT2AMAP2K4KIF11

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 5 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-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 1/4885ALDH1A1 1799/4885KMT2A 1729/4885

“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.