SCHEMBL9909224

SCHEMBL9909224

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
NOTUM Q6P988 1/20 0.46
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
AAK1 Q2M2I8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
TGFBR1 P36897 1/20 0.40
ERN1 O75460 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CREBBP Q92793 1/20 0.39
KDR P35968 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL9909221 0.91 AAK1 (0.43) NOTUMHTTALOX15AAK1KDM4E
SCHEMBL12874508 0.89 KIF11 (0.60) KIF11AAK1KDM4EALDH1A1L3MBTL1
SCHEMBL9909220 0.86 KIF11 (0.50) KIF11AAK1CYP11B1CYP11B2KCNQ3
SCHEMBL9907409 0.85 ALOX15 (0.45) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL9907408 0.83 ALOX15 (0.45) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL9909187 0.82 HTT (0.46) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL9909300 0.81 HTR5A (0.46) KIF11
SCHEMBL9909206 0.80 HTT (0.48) NOTUMHTTALOX15KDM4EALDH1A1
SCHEMBL582158 0.79 KDM4E (0.53) KIF11NOTUMALOX15KDM4EL3MBTL1
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 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 KIF11 3425/4885NOTUM 1086/4885HTT 970/4885

“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.