SCHEMBL2885446

SCHEMBL2885446

CCOC(=O)c1c(C)[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.71
GAA P10253 3/20 0.67
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
ALOX5 P09917 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 2/20 0.60
LMNA P02545 2/20 0.60
MITF O75030 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HCRTR1 O43613 1/20 0.58
PKM P14618 1/20 0.56

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
SCHEMBL19846945 0.89 KDM4E (0.58) NR4A2GAAALDH1A1KMT2AMAPT
SCHEMBL3276393 0.86 TUBB4A (0.67) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL7835613 0.85 NR4A2 (0.64) NR4A2GAAALDH1A1KMT2AMAPT
SCHEMBL30482846 0.84 ALDH1A1 (0.76) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL5240966 0.84 ALOX5 (0.56) NR4A2GAAALDH1A1KMT2AMAPT
SCHEMBL7215720 0.84 ALOX5 (0.56) NR4A2GAAALDH1A1KMT2AMAPT
SCHEMBL729020 0.84 NR4A2 (0.59) NR4A2GAAALDH1A1KMT2AMAPT
SCHEMBL6216675 0.83 NR4A2 (1.00) NR4A2ALDH1A1KMT2AMAPTMEN1
SCHEMBL31570758 0.83 NR4A2 (1.00) NR4A2ALDH1A1KMT2AMAPTMEN1
SCHEMBL14398894 0.83 KDM4E (0.61) GAAALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed
CN-112694432-B Preparation method of arbidol key intermediate 浦拉司科技(上海)有限责任公司 2022-03-11 CN disclosed
EP-3124489-B1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2020-07-15 EP disclosed
EP-3124489-B1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2020-07-15 EP disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2006-12-14 US disclosed
EP-1603914-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004081010-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
EP-1225895-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
EP-1225895-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001026654-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO 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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 NR4A2 2422/4885GAA 748/4885ALDH1A1 1213/4885
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR4, HTR3C NR4A2 139/4885GAA 4759/4885ALDH1A1 1159/4885
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY S1PR3, S1PR1, S1PR2 NR4A2 1012/4885GAA 4347/4885ALDH1A1 1385/4885

“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.