SCHEMBL9104622

SCHEMBL9104622

C=C(C)c1cnc(-c2c(F)cccc2F)c2cc(C(=O)OC)ccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.48
MAP2K4 P45985 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 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
SCHEMBL12874526 0.89 HTR5A (0.47) HTR5AMAPT
SCHEMBL9907517 0.86 HTR5A (0.63) HTR5AMAP2K4ALDH1A1KMT2AKDM4E
SCHEMBL9907628 0.84 HTR5A (0.67) HTR5AMAP2K4ALDH1A1KMT2AKDM4E
SCHEMBL9907707 0.83 HTR5A (0.49) HTR5AMAP2K4ALDH1A1KMT2AKDM4E
SCHEMBL9907625 0.83 HTR5A (0.51) HTR5AMAP2K4ALDH1A1KMT2AKDM4E
SCHEMBL9107764 0.82 HTR5A (0.53) HTR5AALDH1A1
SCHEMBL9105434 0.82 HTR5A (0.66) HTR5AMAP2K4ALDH1A1KMT2AKDM4E
SCHEMBL9107379 0.82 HTR5A (0.54) HTR5AMAP2K4ALDH1A1KMT2AKDM4E
SCHEMBL9907680 0.82 HTR5A (0.50) HTR5AMAP2K4ALDH1A1KMT2AMAPT
SCHEMBL9907709 0.81 HTR5A (0.49) HTR5AALDH1A1MAPTKDM4EL3MBTL1

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 1/4885MAP2K4 3941/4885ALDH1A1 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.