SCHEMBL850700

SCHEMBL850700

O=C(OCc1ccccc1)c1ccc(OCCC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 3/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
RAB9A P51151 2/20 0.48
MAOB P27338 1/20 0.48
PARP10 Q53GL7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL51012 0.87 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20831005 0.86 KMT2A (0.61) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6490296 0.84 KMT2A (0.55) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6286657 0.83 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL8673498 0.83 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL50807 0.82 KMT2A (0.73) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL7531223 0.82 NR4A2 (0.52) TDP1LMNANR4A2NR4A1NR4A3
SCHEMBL20830910 0.82 TSHR (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL13481158 0.82 KMT2A (0.63) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL1242971 0.82 KMT2A (0.63) KMT2ASLC6A2SLC6A3TDP1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885SLC6A2 996/4885SLC6A3 91/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885SLC6A2 996/4885SLC6A3 91/4885

“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.