SCHEMBL9907446

SCHEMBL9907446

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
P4HB P07237 1/20 0.41
NR1H2 P55055 2/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
XDH P47989 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 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
SCHEMBL9907454 0.87 NR1H2 (0.46) NOTUMP4HBNR1H2KDM4ELMNA
SCHEMBL9907439 0.83 SLC6A2 (0.38) P4HBNR1H2KDM4EL3MBTL1MAPT
SCHEMBL9907440 0.82 KDM4E (0.47) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL9907413 0.81 KDM4E (0.45) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL9909234 0.80 NOTUM (0.39) NOTUMNR1H2KDM4EMAPTBRD4
SCHEMBL9907458 0.80 PTGDR2 (0.41) NOTUMNR1H2KDM4ELMNAGAA
SCHEMBL9907415 0.80 KDM4E (0.46) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL1224261 0.77 HTT (0.55) NOTUMKDM4ELMNAL3MBTL1MAPT
SCHEMBL25210212 0.73 MEN1 (0.36) NR1H2KDM4ELMNAL3MBTL1TDP1
SCHEMBL399738 0.72 P4HB (0.66) NOTUMP4HBKDM4ELMNAL3MBTL1

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 4 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

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 1086/4885P4HB 4802/4885NR1H2 705/4885

“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.