SCHEMBL879826

SCHEMBL879826

Cc1cc(NC(C)CO)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP2D6 P10635 1/20 0.44
RAB9A P51151 6/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL11342254 0.84 CYP3A4 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4861296 0.83 ALDH1A1 (0.49) CYP3A4ALDH1A1PKMTDP1RECQL
SCHEMBL11347183 0.81 RAB9A (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL879876 0.80 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL20746918 0.76 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21256944 0.74 ALDH1A1 (0.52) CYP3A4ALDH1A1RAB9AKMT2AMEN1
SCHEMBL13555087 0.73 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL847729 0.73 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL847728 0.73 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL848848 0.73 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1

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 4 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-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
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 (1 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 CYP1A2 944/4885CYP3A4 169/4885CYP2C9 702/4885

“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.