SCHEMBL848922

SCHEMBL848922

Cc1cc(N2C(=O)CCC2CO)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.39
PTGER2 P43116 7/20 0.39
PTGER3 P43115 4/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNA3 P32297 1/20 0.34
PTGDR Q13258 4/20 0.34
PTGER1 P34995 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
SCHEMBL848921 1.00 POLB (0.46) POLBHDAC1HDAC8HDAC6TSHR
SCHEMBL849270 1.00 POLB (0.46) POLBHDAC1HDAC8HDAC6TSHR
SCHEMBL879707 0.84 TSHR (0.41) POLBHDAC1HDAC8HDAC6TSHR
SCHEMBL18013330 0.75 HDAC1 (0.44) HDAC1HDAC8HDAC6TSHRPTGER2
SCHEMBL16422722 0.75 HDAC1 (0.49) HDAC1HDAC8HDAC6TSHRPTGER2
SCHEMBL16422721 0.75 HDAC1 (0.49) HDAC1HDAC8HDAC6TSHRPTGER2
SCHEMBL16423061 0.75 HDAC1 (0.49) HDAC1HDAC8HDAC6TSHRPTGER2
SCHEMBL16104690 0.74 HDAC1 (0.39) HDAC1HDAC8HDAC6PTGER2PTGER3
SCHEMBL13109270 0.74 PTGER2 (0.64) HDAC1HDAC8HDAC6PTGER2PTGER3
SCHEMBL10065847 0.74 PTGER2 (0.64) HDAC1HDAC8HDAC6PTGER2PTGER3

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 POLB 4431/4885HDAC1 71/4885HDAC8 424/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 POLB 4431/4885HDAC1 71/4885HDAC8 424/4885

“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.