SCHEMBL9907357

SCHEMBL9907357

COC(=O)c1ccc2ncc(C)c(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
TNF P01375 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MCL1 Q07820 2/20 0.46
NOD1 Q9Y239 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NOD2 Q9HC29 1/20 0.46
HTR5A P47898 4/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PAX8 Q06710 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL9907379 0.92 HTR5A (0.43) MAPTHTTSMN1; SMN2LMNAGAA
SCHEMBL9907397 0.90 CREBBP (0.45) MAPTHTTSMN1; SMN2LMNAGAA
SCHEMBL9907396 0.87 HTR5A (0.52) MAPTHTTSMN1; SMN2LMNAGAA
SCHEMBL9907361 0.86 HTR5A (0.49) HTTLMNAMEN1KMT2AHTR5A
SCHEMBL9907443 0.85 PIK3CA (0.53) MAPTHTTSMN1; SMN2LMNAGAA
SCHEMBL9907444 0.83 HTR5A (0.47) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL9907355 0.82 PAX8 (0.49) MAPTHTTSMN1; SMN2LMNAGAA
SCHEMBL9907442 0.81 HTR5A (0.48) MAPTHTTSMN1; SMN2LMNAGAA
SCHEMBL9907441 0.81 HTR5A (0.45) MAPTHTTSMN1; SMN2LMNAHTR5A
SCHEMBL9907502 0.81 HTR5A (0.67) MAPTHTTSMN1; SMN2LMNAGAA

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 MAPT 342/4885HTT 970/4885SMN1; SMN2 3684/4885

“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.