SCHEMBL849433

SCHEMBL849433

Cc1cc(CC(N)=O)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4944685 0.83 KDM4E (0.50) CA2KDM4EALDH1A1KMT2APOLB
SCHEMBL22092973 0.83 SKP2 (0.50) CA2KDM4EALDH1A1POLBLMNA
SCHEMBL30354606 0.83 KDM4E (0.50) CA2KDM4EALDH1A1KMT2APOLB
SCHEMBL5239543 0.83 POLB (0.44) ABL1RIN1KDM4EALDH1A1KMT2A
SCHEMBL2702346 0.82 CA2 (0.52) CA2KDM4EALDH1A1KMT2APOLB
SCHEMBL3392851 0.82 CA2 (0.52) CA2ABL1RIN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5385069 0.81 CA2 (0.50) CA2ABL1RIN1KDM4EALDH1A1
SCHEMBL19675441 0.81 ABL1 (0.43) ABL1RIN1KDM4EALDH1A1KMT2A
SCHEMBL2796509 0.79 ESR1 (0.59) CA2KDM4EALDH1A1POLBLMNA
SCHEMBL14712149 0.79 ALDH1A1 (0.53) ABL1RIN1KDM4EALDH1A1KMT2A

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 CA2 921/4885ABL1 461/4885RIN1 1390/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CA2 921/4885ABL1 461/4885RIN1 1390/4885

“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.