SCHEMBL16494696

SCHEMBL16494696

O=C(O)c1ccc2c(F)ccc(O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA4 P22748 3/20 0.53
CA6 P23280 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
PTGS2 P35354 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.43
RAB9A P51151 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL3389495 0.86 CA12 (0.64) KDM4ECA12CA1CA2CA4
SCHEMBL30579441 0.86 CA12 (0.64) KDM4ECA12CA1CA2CA4
SCHEMBL16494260 0.80 XDH (0.59) KDM4ECA12CA1CA2CA7
SCHEMBL32257493 0.78 CA6 (0.64) KDM4ECA12CA1CA2CA4
SCHEMBL30574898 0.78 KDM4E (0.71) KDM4ECA12CA1CA2CA4
SCHEMBL383555 0.78 CA6 (0.64) KDM4ECA12CA1CA2CA4
SCHEMBL226720 0.78 KDM4E (0.71) KDM4ECA12CA1CA2CA4
SCHEMBL16503477 0.77 ACE2 (0.47) KDM4EMAPTGAALMNAHTT
Water SCHEMBL4310345 0.76 KDM4E (0.69) KDM4ECA12CA1CA2CA4
SCHEMBL7923114 0.75 TTR (0.51) KDM4ECA12CA1CA2CA4

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A KDM4E 1630/4885CA12 4726/4885CA1 3899/4885

“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.