SCHEMBL15328653

SCHEMBL15328653

Cc1[nH]c(-c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c2c1C(=O)CCC2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.72
PDE7A Q13946 1/20 0.44

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
SCHEMBL15328645 0.84 BRD4 (1.00) BRD4
SCHEMBL15328848 0.80 BRD4 (0.72) BRD4
SCHEMBL15328801 0.80 BRD4 (0.52) BRD4
SCHEMBL15328479 0.80 BRD4 (1.00) BRD4
SCHEMBL24263912 0.78 BRD4 (0.68) BRD4
SCHEMBL20450448 0.77 BRD4 (0.67) BRD4
SCHEMBL15328686 0.74 BRD4 (0.74) BRD4
SCHEMBL15328521 0.70 BRD4 (0.66) BRD4
SCHEMBL8866097 0.70 PDE7A (0.68) PDE7A
SCHEMBL15328755 0.69 BRD4 (1.00) BRD4

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-2013155695-A1 ISOINDOLONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-10-24 WO disclosed
WO-2013158952-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. (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 BRD4 2626/4885PDE7A 2513/4885
US-20130281450-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 BRD4 2624/4885PDE7A 2572/4885

“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.