SCHEMBL847729

SCHEMBL847729

Cc1cc(NCC(O)CO)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 6/20 0.44
RAB9A P51151 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
NPC1 O15118 2/20 0.44
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 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
SCHEMBL847728 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL13555087 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL16357874 0.86 MAPT (0.44) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL13232255 0.86 MAPT (0.44) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL3858519 0.84 ALDH1A1 (0.46) ALDH1A1MAPTGAATDP1CYP1A2
Hydrochloric Acid SCHEMBL3857846 0.83 ALDH1A1 (0.45) ALDH1A1MAPTGAATDP1CYP1A2
SCHEMBL850322 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL26929021 0.75 MAPT (0.50) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL3859628 0.75 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAATDP1
SCHEMBL18527857 0.75 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAATDP1

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 7 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-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
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
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 ALDH1A1 836/4885MAPT 3000/4885KDM4E 2949/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885MAPT 3000/4885KDM4E 2949/4885

“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.