SCHEMBL3468539

SCHEMBL3468539

COc1ccc(C(=O)c2ccc(I)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
RAB9A P51151 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HPGD P15428 1/20 0.66
APP P05067 1/20 0.60
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58

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
SCHEMBL51509 0.89 RXFP1 (0.79) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL9418310 0.89 RXFP1 (0.79) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL18627181 0.86 TUBB4A (0.62) RXFP1KMT2AMEN1LMNAMAPT
Ethyne SCHEMBL8195983 0.85 RXFP1 (0.73) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL17881267 0.83 RXFP1 (0.66) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL24538828 0.83 PARP10 (0.70) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL14407949 0.83 PARP10 (0.70) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL19008826 0.83 PARP10 (0.70) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL21246920 0.83 RXFP1 (0.70) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL3675509 0.83 SRD5A2 (0.59) KMT2AMAPTRAB9AHPGDALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
WO-2016196342-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 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 (4 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S RXFP1 4075/4885KMT2A 3243/4885MEN1 4613/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S RXFP1 4075/4885KMT2A 3243/4885MEN1 4613/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S RXFP1 4075/4885KMT2A 3243/4885MEN1 4613/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG RXFP1 413/4885KMT2A 3196/4885MEN1 4611/4885

“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.