SCHEMBL9907707

SCHEMBL9907707

C=Cc1cnc(-c2c(F)cccc2F)c2cc(C(=O)OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.49
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
ERN1 O75460 2/20 0.38
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP2K4 P45985 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KIF11 P52732 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
SCHEMBL9105887 0.91 HTR5A (0.49) HTR5AALOX15HTTERN1CSNK2A1
SCHEMBL9907778 0.91 HTR5A (0.49) HTR5AALOX15HTTERN1CSNK2A1
SCHEMBL9107764 0.90 HTR5A (0.53) HTR5AALOX15HTTERN1ALDH1A1
SCHEMBL9907773 0.88 HTR5A (0.50) HTR5AALOX15HTTCSNK2A1ALDH1A1
SCHEMBL9907517 0.87 HTR5A (0.63) HTR5AALOX15HTTALDH1A1KMT2A
SCHEMBL9907628 0.85 HTR5A (0.67) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9907625 0.84 HTR5A (0.51) HTR5AALOX15HTTALDH1A1KMT2A
SCHEMBL9104622 0.83 HTR5A (0.48) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9107379 0.83 HTR5A (0.54) HTR5AALOX15HTTERN1ALDH1A1
SCHEMBL9105434 0.83 HTR5A (0.66) HTR5AALOX15HTTERN1ALDH1A1

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
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

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 1/4885ALOX15 1101/4885HTT 970/4885

“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.