SCHEMBL15328685

SCHEMBL15328685

CC1(C)OB(c2cc(N)ccc2Oc2ccccc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
MAOB P27338 1/20 0.40
MAOA P21397 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NLRP3 Q96P20 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TTR P02766 2/20 0.35
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL21904913 0.87 TEAD4 (0.45) BRD4CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21904948 0.87 TDP1 (0.41) CYP3A4MEN1KMT2ANPC1RAB9A
SCHEMBL20155354 0.86 MAPT (0.44) MAOBMAOACYP1A2CYP3A4CYP2C9
SCHEMBL21904898 0.86 LPL (0.41) MAOBLPLLIPGMEN1KMT2A
SCHEMBL15069404 0.83 AR (0.39) MEN1KMT2AALDH1A1MAPT
SCHEMBL29520838 0.82 NCOA1 (0.44) MAOACYP3A4LPLLIPGMEN1
SCHEMBL20155072 0.82 MEN1 (0.40) LPLLIPGMEN1KMT2AALDH1A1
SCHEMBL23174962 0.81 KMT2A (0.46) BRD4LIPGMEN1KMT2AMITF
SCHEMBL29520819 0.81 KMT2A (0.46) BRD4LIPGMEN1KMT2AMITF
SCHEMBL29730802 0.81 MAPT (0.42) BRD4MEN1KMT2ANPC1RAB9A

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 12 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
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 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-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US 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 (3 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 2626/4885MAOB 3675/4885MAOA 4117/4885
US-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885MAOB 1809/4885MAOA 1730/4885
US-20130281450-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 BRD4 2624/4885MAOB 3716/4885MAOA 4132/4885

“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.