SCHEMBL9907321

SCHEMBL9907321

[C-]#[N+]c1cc(-c2c(F)cc(F)cc2F)c2cc(C(=O)OC)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.48
MAPT P10636 7/20 0.45
HTT P42858 5/20 0.45
GAA P10253 4/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TNF P01375 2/20 0.45
HPGD P15428 2/20 0.45
MCL1 Q07820 2/20 0.45
NOD1 Q9Y239 2/20 0.45
NOD2 Q9HC29 1/20 0.45
KDM4E B2RXH2 3/20 0.40
NR2F2 P24468 1/20 0.40
KLF5 Q13887 1/20 0.40
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 2/20 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
SCHEMBL9907513 0.87 HTR5A (0.50) HTR5AMAPTGAAKMT2ASMN1; SMN2
SCHEMBL9907550 0.84 HTR5A (0.67) HTR5AMAPTHTTGAALMNA
SCHEMBL9106295 0.83 HTR5A (0.51) HTR5AMAPTHTTGAALMNA
SCHEMBL9909164 0.81 HTR5A (0.49) HTR5AMAPTHTTGAALMNA
SCHEMBL9907854 0.81 HTR5A (0.72) HTR5A
SCHEMBL9103449 0.80 HTR5A (0.48) HTR5AMAPTHTTGAALMNA
SCHEMBL9107247 0.78 HTT (0.48) HTR5AMAPTHTTGAALMNA
SCHEMBL9907543 0.78 HTR5A (0.46) HTR5AMAPTHTTGAALMNA
SCHEMBL10030408 0.74 MAPT (0.41) HTR5AMAPTHTTGAALMNA
SCHEMBL9907332 0.73 HTR5A (0.64) HTR5AMAPTGAAKMT2ASMN1; 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 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 1/4885MAPT 342/4885HTT 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.