SCHEMBL9907454

SCHEMBL9907454

COC(=O)c1cc(C(F)(F)F)c2nccc(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.46
NOTUM Q6P988 3/20 0.45
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 3/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
DYRK1A Q13627 2/20 0.38
CFTR P13569 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9907446 0.87 NOTUM (0.45) NR1H2NOTUMMAPTBRD4KDM4E
SCHEMBL9907416 0.83 KDM4E (0.45) MAPTKDM4EKDM6BKDM5CKDM4C
SCHEMBL9907453 0.82 KDM4E (0.42) NOTUMBRD4KDM4EKDM6BKDM5C
SCHEMBL9909234 0.80 NOTUM (0.39) NR1H2NOTUMMAPTBRD4KDM4E
SCHEMBL9907458 0.80 PTGDR2 (0.41) NR1H2NOTUMMAPTBRD4KDM4E
SCHEMBL9907421 0.80 KDM4E (0.46) NR1H2MAPTKDM4EKDM6BKDM5C
SCHEMBL16544886 0.80 MAPT (0.43) MAPTKDM4EKDM6BKDM5CKDM4C
SCHEMBL1224261 0.77 HTT (0.55) NOTUMMAPTBRD4KDM4ECFTR
SCHEMBL22253419 0.73 CCR1 (0.42) NR1H2L3MBTL1NR1H3
SCHEMBL9907413 0.72 KDM4E (0.45) MAPTKDM4EKDM6BKDM5CKDM4C

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 NR1H2 705/4885NOTUM 1086/4885MAPT 342/4885

“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.