SCHEMBL9907426

SCHEMBL9907426

COC(=O)c1cc(Cl)c2nccc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
MAPK14 Q16539 2/20 0.38
PDK2 Q15119 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9907456 0.89 LMNA (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907424 0.87 MAPK14 (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907483 0.87 MAPK14 (0.37) ACLYMAPK14PDK2MEN1MAPT
SCHEMBL9907427 0.85 RORC (0.39) ACLYKDM4CMAPK14PTGDR2
SCHEMBL9907458 0.84 PTGDR2 (0.41) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907468 0.80 PTGDR2 (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9107247 0.80 HTT (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907347 0.80 TGFBR1 (0.46) ACLYKDM4EKDM6BKDM5CKDM4C
SCHEMBL9907825 0.80 HTR5A (0.51)
SCHEMBL9909254 0.78 GRM2 (0.37) KDM4EKDM6BKDM5CKDM4CKDM2A

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 5 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-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
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 ACLY 3295/4885KDM4E 1474/4885KDM6B 1843/4885

“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.