SCHEMBL848671

SCHEMBL848671

Cc1cc(NCC#N)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
RAB9A P51151 6/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL4950358 0.80 GRM4 (0.43) HTTRAB9AMAPTNPC1CYP1A2
SCHEMBL8292659 0.79 RAB9A (0.53) RAB9AMAPTNPC1CYP1A2CYP3A4
SCHEMBL3177246 0.77 CYP1A2 (0.45) HTTRAB9AMAPTNPC1CYP1A2
SCHEMBL16302157 0.76 RAB9A (0.50) HTTRAB9AMAPTNPC1CYP1A2
SCHEMBL30790740 0.75 HTT (0.47) HTTMAPTALDH1A1POLBKDM4E
SCHEMBL850322 0.74 ALDH1A1 (0.54) HTTRAB9AMAPTNPC1CYP1A2
SCHEMBL16302152 0.74 RAB9A (0.49) HTTRAB9AMAPTNPC1CYP1A2
SCHEMBL13192623 0.74 CA2 (0.46) RAB9AMAPTNPC1CYP2C9ALDH1A1
SCHEMBL30790705 0.74 HTT (0.46) HTTRAB9AMAPTNPC1CYP1A2
SCHEMBL9199449 0.74 ALDH1A1 (0.62) HTTRAB9AMAPTNPC1CYP1A2

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 11 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
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 HTT 1584/4885RAB9A 1798/4885MAPT 3000/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTT 1584/4885RAB9A 1798/4885MAPT 3000/4885

“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.