SCHEMBL879701

SCHEMBL879701

Cc1cc(N(CCO)C(=O)CBr)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.35
MAPT P10636 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CETP P11597 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL848015 0.85 PKM (0.38) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL849730 0.83 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL13555124 0.82 PKM (0.49) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL13555143 0.81 MLYCD (0.51) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL16302252 0.79 ALDH1A1 (0.33) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL16104703 0.78 MLYCD (0.40) ALDH1A1RAB9AKMT2AMEN1MAPT
SCHEMBL14229452 0.77 TP53 (0.50) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL15477661 0.76 KMT2A (0.49) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL16104767 0.74 EGFR (0.39) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL14229448 0.74 TP53 (0.48) ALDH1A1RAB9ANPC1LMNASMN1; SMN2

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 8 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
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 ALDH1A1 836/4885RAB9A 1798/4885NPC1 1102/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885RAB9A 1798/4885NPC1 1102/4885

“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.