SCHEMBL851766

SCHEMBL851766

Cc1cc(NCCO)c(F)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ GLA P06280 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAP2K2 P36507 2/20 0.32
▸ MAP2K1 Q02750 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL9070350 0.84 MEN1 (0.39) BRD4MEN1GAAKMT2AMAPK1
SCHEMBL13065235 0.77 MAPT (0.34) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL12947841 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL6261455 0.73 MEN1 (0.45) BRD4MEN1GAAKMT2AMAPK1
SCHEMBL15292156 0.71 KDM4E (0.44) MEN1GAAKMT2AMAPK1CYP2C19
Hydrochloric Acid SCHEMBL5398554 0.70 PIK3CA (0.54) BRD4MEN1GAAKMT2AMAPK1
SCHEMBL10476380 0.69 ALDH1A1 (0.56) BRD4MEN1GAAKMT2AMAPK1
SCHEMBL11994358 0.68 SMN1; SMN2 (0.39) GAACYP2C19ALDH1A1KDM4EGLA
SCHEMBL21761803 0.68 ACHE (0.33) —
SCHEMBL23706335 0.67 MEN1 (0.40) BRD4MEN1GAAKMT2AMAPK1

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 12 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
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 BRD4 193/4885MEN1 276/4885GAA 4027/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 BRD4 193/4885MEN1 276/4885GAA 4027/4885

“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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