SCHEMBL9907650

SCHEMBL9907650

COC(=O)c1ccc2c(C(F)(F)F)cnc(O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.52
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
XDH P47989 1/20 0.43
LCK P06239 1/20 0.43
P4HB P07237 1/20 0.42
NR1H2 P55055 1/20 0.42
AR P10275 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL9907671 0.86 NOTUM (0.52) NOTUMLMNAKDM4EALDH1A1HTT
SCHEMBL9106546 0.82 CA12 (0.46) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9107870 0.82 CA12 (0.46) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL23796259 0.81 LMNA (0.46) NOTUMLMNAKDM4EALDH1A1HTT
SCHEMBL9907709 0.79 HTR5A (0.49) NOTUMLMNAKDM4EALDH1A1HTT
SCHEMBL16151819 0.79 NOTUM (0.45) NOTUMLMNAKDM4EALDH1A1HTT
SCHEMBL9102332 0.79 CA12 (0.46) NOTUMLMNAKDM4EALDH1A1HTT
SCHEMBL9102415 0.79 CSNK2A1 (0.47) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL16151833 0.78 CA12 (0.43) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9909231 0.76 NOTUM (0.57) NOTUMLMNAKDM4EALDH1A1HTT

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 2 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

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 NOTUM 1086/4885LMNA 4287/4885KDM4E 1474/4885

“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.