SCHEMBL9909206

SCHEMBL9909206

COC(=O)c1ccc2nccc(-c3cccc(C(F)(F)F)c3F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
TGFBR1 P36897 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 1/20 0.43
NR1H2 P55055 1/20 0.41
TP53 P04637 1/20 0.40
MPL P40238 2/20 0.40
RORC P51449 1/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.39
PDK2 Q15119 2/20 0.39
SYK P43405 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
P4HB P07237 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
SCHEMBL9909198 0.86 KMO (0.43) MPLRORCESR1MRGPRX4
SCHEMBL9907393 0.85 HTT (0.51) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9907368 0.84 ALOX15 (0.50) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9909229 0.81 HTR5A (0.46)
SCHEMBL9909224 0.80 KIF11 (0.49) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9909221 0.80 AAK1 (0.43) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9907466 0.80 ALOX15 (0.47) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9909199 0.79 TLR2 (0.44) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9907388 0.79 HTT (0.43) HTTALOX15TGFBR1KDM4EALDH1A1
SCHEMBL9907404 0.78 ALOX15 (0.52) HTTALOX15TGFBR1KDM4EALDH1A1

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 3 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
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 1101/4885TGFBR1 3632/4885

“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.