SCHEMBL9909166

SCHEMBL9909166

N#Cc1cc(-c2c(F)cc(F)cc2F)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.50
SLC22A12 Q96S37 1/20 0.39
CSNK2A1 P68400 5/20 0.38
NR4A2 P43354 1/20 0.36
GRM2 Q14416 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
CHEK2 O96017 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.34
PDPK1 O15530 1/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
RET P07949 1/20 0.34
PIM1 P11309 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL12874515 0.91 HTR5A (0.52) HTR5AGRM2ALDH1A1L3MBTL1
SCHEMBL9103449 0.87 HTR5A (0.48) HTR5ATDP1TP53MAPTALDH1A1
SCHEMBL9909241 0.85 HTR5A (0.72) HTR5A
SCHEMBL12874473 0.82 HTR5A (0.43) HTR5AGRM2MAPTALDH1A1HPGD
SCHEMBL9907333 0.81 HTR5A (0.72) HTR5ANR4A2TDP1POLBMAPT
SCHEMBL9909178 0.79 HTR5A (0.51) HTR5ACSNK2A1NR4A2GRM2TDP1
SCHEMBL9109054 0.79 GRM2 (0.60) HTR5AGRM2
SCHEMBL9907541 0.78 HTR5A (0.53) HTR5ACSNK2A1NR4A2GRM2TDP1
SCHEMBL9907513 0.78 HTR5A (0.50) HTR5ACSNK2A1NR4A2GRM2TDP1
SCHEMBL9108194 0.76 HTR5A (0.48) HTR5ASLC22A12CSNK2A1NR4A2TDP1

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 2 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-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 1/4885SLC22A12 1751/4885CSNK2A1 4309/4885

“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.