SCHEMBL9907680

SCHEMBL9907680

CCc1cnc(-c2c(F)cccc2F)c2cc(C(=O)OC)ccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.50
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TTR P02766 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAP2K4 P45985 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL9908028 0.92 HTR5A (0.54) HTR5ATP53MAPTALDH1A1
SCHEMBL16151820 0.92 HTR5A (0.49) HTR5ATP53MAPTMRGPRX4KDM4E
SCHEMBL9907740 0.92 HTR5A (0.49) HTR5AMRGPRX4KDM4EALDH1A1TTR
SCHEMBL9107488 0.91 HTR5A (0.50) HTR5ATP53MAPTMRGPRX4KDM4E
SCHEMBL9908012 0.91 HTR5A (0.50) HTR5ATP53MAPTTTRMAP2K4
SCHEMBL9907517 0.88 HTR5A (0.63) HTR5AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL9907775 0.87 HTR5A (0.51) HTR5ATP53MAPTKDM4EALDH1A1
SCHEMBL9907684 0.87 HTR5A (0.53) HTR5AMRGPRX4ALDH1A1TTRSMN1; SMN2
SCHEMBL9907628 0.86 HTR5A (0.67) HTR5AKDM4EALDH1A1TTRKMT2A
SCHEMBL9907625 0.85 HTR5A (0.51) HTR5AKDM4EALDH1A1KMT2ASMN1; 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 1/4885TP53 3013/4885MAPT 342/4885

“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.