SCHEMBL850574

SCHEMBL850574

Cc1cc(C(=O)N2CCC(O)CC2)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
HPGD P15428 4/20 0.58
ALDH1A1 P00352 3/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 3/20 0.55
LRRK2 Q5S007 1/20 0.50
GRM5 P41594 1/20 0.49
MGLL Q99685 2/20 0.48
L3MBTL3 Q96JM7 2/20 0.48
GRM3 Q14832 1/20 0.48
MBTD1 Q05BQ5 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15651212 0.85 ALDH1A1 (0.58) HSP90AA1HSP90AB1HPGDALDH1A1TP53
SCHEMBL9300442 0.84 HPGD (0.71) HPGDALDH1A1TP53TSHRMGLL
SCHEMBL848798 0.84 HPGD (0.77) HPGDALDH1A1TP53TSHRMGLL
SCHEMBL12217952 0.84 HSP90AA1 (0.68) HSP90AA1HSP90AB1HPGDALDH1A1TP53
SCHEMBL848035 0.83 HPGD (0.51) HSP90AA1HSP90AB1HPGDALDH1A1TP53
SCHEMBL2378485 0.83 HPGD (0.77) HPGDALDH1A1TP53TSHRCNR2
SCHEMBL2376496 0.83 HPGD (0.77) HPGDALDH1A1TP53TSHRCNR2
SCHEMBL21201347 0.82 HSP90AA1 (0.56) HSP90AA1HSP90AB1HPGDTSHRLRRK2
SCHEMBL849340 0.82 HPGD (0.59) HPGDALDH1A1TP53TSHRMGLL
SCHEMBL9997035 0.82 KMT2A (0.55) HSP90AA1HSP90AB1HPGDALDH1A1TP53

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 14 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-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
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
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
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 HSP90AA1 1632/4885HSP90AB1 1578/4885HPGD 2068/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HSP90AA1 1632/4885HSP90AB1 1578/4885HPGD 2068/4885

“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.