SCHEMBL9909231

SCHEMBL9909231

COC(=O)c1ccc2ncc(C(F)(F)F)c(Br)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
HTT P42858 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
PAX8 Q06710 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
NR1H2 P55055 1/20 0.41
GAA P10253 1/20 0.40
CREBBP Q92793 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 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
SCHEMBL9907537 0.81 PAX8 (0.47) HTTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL9103154 0.80 HTT (0.46) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL9909179 0.77 HTR5A (0.49) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL9907650 0.76 NOTUM (0.52) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL9907671 0.76 NOTUM (0.52) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL321308 0.74 NOTUM (0.79) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL15392523 0.73 NOTUM (1.00) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL29654055 0.73 NOTUM (1.00) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL29374302 0.73 NOTUM (0.51) NOTUMHTTKDM4ELMNAALDH1A1
SCHEMBL9907355 0.72 PAX8 (0.49) HTTKDM4ELMNAALDH1A1L3MBTL1

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 1086/4885HTT 970/4885KDM4E 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.