SCHEMBL850500

SCHEMBL850500

Cc1cc(NC(=O)CCCCBr)cc(C)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.55
▸ HDAC1 Q13547 11/20 0.55
▸ HDAC2 Q92769 11/20 0.55
▸ HDAC10 Q969S8 11/20 0.55
▸ HDAC11 Q96DB2 11/20 0.55
▸ HDAC8 Q9BY41 11/20 0.55
▸ HDAC6 Q9UBN7 11/20 0.55
▸ HDAC4 P56524 9/20 0.55
▸ HDAC7 Q8WUI4 9/20 0.55
▸ HDAC9 Q9UKV0 9/20 0.55
▸ HDAC5 Q9UQL6 9/20 0.55
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ NCOR2 Q9Y618 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 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
SCHEMBL10499564 0.79 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15883219 0.77 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8551297 0.75 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4654699 0.75 MEN1 (0.63) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29111436 0.75 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22479429 0.73 MEN1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30087930 0.73 GAA (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5853506 0.73 KDM4E (0.53) ALDH1A1LMNAMAPTHTTPTPN11
SCHEMBL21805191 0.73 GAA (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10499470 0.73 MEN1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11

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
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-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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 — — WO 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 HDAC3 23/4885HDAC1 71/4885HDAC2 74/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HDAC3 23/4885HDAC1 71/4885HDAC2 74/4885

“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.

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