SCHEMBL2003642

SCHEMBL2003642

O=C(OCc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX5 P09917 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.49
PDE1C Q14123 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL5335470 0.90 KMT2A (0.60) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL12856432 0.90 ALOX5 (0.61) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL8561986 0.86 KMT2A (0.55) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL5708159 0.85 HTT (0.57) KMT2ATDP1ALOX5HTTRAB9A
SCHEMBL27747363 0.84 KMT2A (0.53) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL9051523 0.84 NPC1 (0.61) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL417705 0.83 MAPT (0.60) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL2825416 0.82 MAPT (0.69) KMT2ASLC6A2SLC6A3TDP1HTT
SCHEMBL4626752 0.82 KMT2A (0.50) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL523154 0.80 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1ALOX5

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
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR KMT2A 1359/4885SLC6A2 755/4885SLC6A3 217/4885

“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.