SCHEMBL9907349

SCHEMBL9907349

COC(=O)c1ccc2nccc(-c3ccc(Cl)cc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
KMO O15229 1/20 0.42
TGFBR1 P36897 1/20 0.41
GRM2 Q14416 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
MAP2K4 P45985 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 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 0.92 HTT (0.46) HTTALOX15TGFBR1IDO1TDO2
SCHEMBL9907346 0.88 HTT (0.47) HTTALOX15TGFBR1TDO2CSNK2A1
SCHEMBL9907338 0.88 HTT (0.47) HTTALOX15TGFBR1CSNK2A2CSNK2B
SCHEMBL9907399 0.87 ALOX15 (0.46) HTTALOX15TGFBR1GRM2KMT2A
SCHEMBL9907367 0.86 HTT (0.45) HTTALOX15TGFBR1TDO2CSNK2A1
SCHEMBL9907358 0.86 HTT (0.47) HTTALOX15TGFBR1CSNK2A1CSNK2A2
SCHEMBL15500537 0.85 KMO (0.45) HTTKMOGRM2IDO1TDO2
SCHEMBL9907352 0.85 KMO (0.51) KMOGRM2IDO1TDO2CSNK2A2
SCHEMBL9909199 0.84 TLR2 (0.44) HTTALOX15TGFBR1CSNK2A1GSK3B
SCHEMBL9907350 0.84 HTT (0.45) HTTALOX15TGFBR1GRM2IDO1

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 1101/4885KMO 559/4885

“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.