SCHEMBL76839

SCHEMBL76839

Nc1ccc(OCCn2ccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
MAPK1 P28482 1/20 0.72
TBXAS1 P24557 10/20 0.71
NOS1 P29475 1/20 0.67
LTA4H P09960 1/20 0.65
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
QPCT Q16769 1/20 0.61

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
SCHEMBL6302835 0.92 QPCT (0.73) KDM4ETBXAS1NOS1KMT2AMEN1
SCHEMBL19926012 0.91 NOS1 (0.74) KDM4ENOS1KMT2AMEN1LMNA
SCHEMBL19926004 0.87 NOS1 (0.68) KDM4ENOS1KMT2AMEN1LMNA
SCHEMBL10753237 0.84 LTA4H (0.70) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL8684965 0.84 MAPK1 (1.00) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL10785887 0.84 KDM4E (0.72) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL305632 0.84 ALDH1A1 (0.72) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL8690248 0.84 KMT2A (0.83) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL13246359 0.84 QPCT (0.85) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL10370478 0.83 TBXAS1 (1.00) KDM4EALDH1A1MAPK1TBXAS1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
EP-2298304-A2 Carboline derivatives useful in the treatment of cancer PTC Therapeutics, Inc. (US) 2011-03-23 EP disclosed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US disclosed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 US disclosed
US-4636500-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1987-01-13 US disclosed
US-4602016-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1986-07-22 US disclosed
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 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 (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4E 2087/4885ALDH1A1 1197/4885MAPK1 3432/4885
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 KDM4E 939/4885ALDH1A1 1651/4885MAPK1 243/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4E 2087/4885ALDH1A1 1197/4885MAPK1 3432/4885
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A KDM4E 3147/4885ALDH1A1 823/4885MAPK1 1921/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 KDM4E 377/4885ALDH1A1 1361/4885MAPK1 190/4885

“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.