SCHEMBL9907367

SCHEMBL9907367

COC(=O)c1ccc2nccc(-c3cc(Cl)c(F)cc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
ALOX15 P16050 2/20 0.45
CSNK2A1 P68400 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39

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
SCHEMBL9907369 0.87 HTT (0.46) HTTALOX15CSNK2A1MEN1MAPT
SCHEMBL9907349 0.86 HTT (0.45) HTTALOX15CSNK2A1MEN1MAPT
SCHEMBL9907370 0.85 MAPKAPK2 (0.40) CSNK2A1ALDH1A1L3MBTL1KDM4CHPGD
SCHEMBL15500547 0.85 HTR5A (0.39) TDO2
SCHEMBL9907350 0.84 HTT (0.45) HTTALOX15CSNK2A1MEN1MAPT
SCHEMBL9907475 0.84 HTT (0.45) HTTALOX15CSNK2A1MEN1MAPT
SCHEMBL9907346 0.83 HTT (0.47) HTTALOX15CSNK2A1MEN1MAPT
SCHEMBL9907368 0.83 ALOX15 (0.50) HTTALOX15CSNK2A1MAPTTGFBR1
SCHEMBL9907466 0.83 ALOX15 (0.47) HTTALOX15CSNK2A1MAPTTGFBR1
SCHEMBL9907399 0.82 ALOX15 (0.46) HTTALOX15MAPTKMT2ATGFBR1

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 HTT 970/4885ALOX15 1101/4885CSNK2A1 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.