SCHEMBL15328627

SCHEMBL15328627

Cc1[nH]c(Br)c2c1C(=O)CC(c1ccccc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BRD4 O60885 4/20 0.47
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
OPRK1 P41145 1/20 0.45
TLR9 Q9NR96 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL15328992 0.73 BRD4 (0.45) BRD4
SCHEMBL15328786 0.69 BRD4 (0.79) BRD4
SCHEMBL7685234 0.68 ALOX15 (0.56) TSHRALOX15HSD17B10LMNAKMT2A
SCHEMBL15328750 0.67 BRD4 (0.51) BRD4
SCHEMBL16217099 0.66 ALOX15 (0.83) TSHRALOX15HSD17B10LMNAKMT2A
SCHEMBL7683273 0.66 ADORA2A (0.59) TSHRALOX15HSD17B10LMNAKMT2A
SCHEMBL7681249 0.66 ALOX15 (0.53) TSHRALOX15HSD17B10LMNAKMT2A
SCHEMBL7685368 0.65 LMNA (0.58) TSHRALOX15HSD17B10LMNAKMT2A
SCHEMBL7689499 0.64 LMNA (0.47) TSHRALOX15HSD17B10BRD4LMNA
SCHEMBL21954834 0.63 MAPT (0.57) BRD4LMNAKMT2AHTTALDH1A1

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
EP-2838881-B1 ISOINDOLONE DERIVATIVES ABBVIE INC (US) 2018-08-08 EP disclosed
US-9776990-B2 Isoindolone derivatives ABBVIE INC. (US) 2017-10-03 US disclosed
US-20150111890-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. 2015-04-23 US disclosed
EP-2850071-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-03-25 EP disclosed
EP-2838881-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-02-25 EP disclosed
WO-2013158952-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. (US) 2013-10-24 WO disclosed
WO-2013155695-A1 ISOINDOLONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-10-24 WO disclosed
US-20130281450-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. 2013-10-24 US 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-20150111890-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 TSHR 3248/4885ALOX15 168/4885HSD17B10 186/4885
US-20130281450-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 TSHR 3246/4885ALOX15 170/4885HSD17B10 195/4885

“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.