SCHEMBL9907625

SCHEMBL9907625

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.51
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K4 P45985 1/20 0.38
RAB9A P51151 2/20 0.38
KIF11 P52732 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
GCK P35557 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9907742 0.92 HTR5A (0.55) HTR5AALDH1A1RAB9AL3MBTL1
SCHEMBL9907774 0.91 HTR5A (0.51) HTR5ANOTUMMAP2K4
SCHEMBL9102359 0.91 HTR5A (0.51) HTR5ANOTUMALDH1A1KMT2ASMN1; SMN2
SCHEMBL9907517 0.89 HTR5A (0.63) HTR5AALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9907722 0.87 HTR5A (0.52) HTR5ANOTUMALDH1A1KDM4EKMT2A
SCHEMBL9907628 0.87 HTR5A (0.67) HTR5ANOTUMALDH1A1KDM4EKMT2A
SCHEMBL9107764 0.85 HTR5A (0.53) HTR5AALDH1A1ALOX15HTT
SCHEMBL9105434 0.85 HTR5A (0.66) HTR5AALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9107379 0.85 HTR5A (0.54) HTR5AALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9907680 0.85 HTR5A (0.50) HTR5AALDH1A1KDM4EKMT2ASMN1; 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 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 1/4885NOTUM 1086/4885ALDH1A1 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.