SCHEMBL9909221

SCHEMBL9909221

COC(=O)c1ccc2nccc(-c3ccc(F)c(C(F)(F)F)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.43
NOTUM Q6P988 1/20 0.43
KMO O15229 2/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TGFBR1 P36897 1/20 0.41
KDR P35968 3/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ERN1 O75460 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
KIT P10721 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
SCHEMBL9909224 0.91 KIF11 (0.49) AAK1NOTUMHTTALOX15KDM4E
SCHEMBL9909223 0.86 KMO (0.52) AAK1KMORIPK1KDRNR1H2
SCHEMBL9907408 0.85 ALOX15 (0.45) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL9907409 0.83 ALOX15 (0.45) NOTUMKMOHTTALOX15KDM4E
SCHEMBL9909187 0.82 HTT (0.46) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL9907388 0.81 HTT (0.43) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL9909290 0.81 HTR5A (0.46) AAK1KMORIPK1
SCHEMBL9909206 0.80 HTT (0.48) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL12874508 0.80 KIF11 (0.60) AAK1RIPK1KDM4EALDH1A1L3MBTL1
SCHEMBL9909199 0.79 TLR2 (0.44) HTTALOX15KDM4EALDH1A1LMNA

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 4 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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 AAK1 2593/4885NOTUM 1086/4885KMO 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.