SCHEMBL1382764

SCHEMBL1382764

O=C(NCCCN1CCOCC1)c1ccccc1

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.95
ALDH1A1 P00352 2/20 0.95
KDM4E B2RXH2 1/20 0.95
POLB P06746 2/20 0.76
TSHR P16473 1/20 0.76
HPGD P15428 1/20 0.71
CD274 Q9NZQ7 1/20 0.71
GAA P10253 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
NAMPT P43490 1/20 0.66
EPHX2 P34913 1/20 0.65
GLA P06280 1/20 0.64

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
SCHEMBL8150783 0.92 CD274 (0.85) SMN1; SMN2ALDH1A1KDM4EPOLBTSHR
SCHEMBL487964 0.91 CD274 (0.84) SMN1; SMN2ALDH1A1KDM4EHPGDCD274
SCHEMBL10720845 0.90 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1KDM4EPOLBGAA
SCHEMBL3641780 0.89 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1KDM4EPOLBTSHR
SCHEMBL1384427 0.87 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EHPGDGAA
SCHEMBL10723691 0.87 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL763452 0.86 HTT (0.78) SMN1; SMN2ALDH1A1KDM4ETSHRCD274
SCHEMBL3034681 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EPOLBTSHR
SCHEMBL12459935 0.86 CD274 (0.79) SMN1; SMN2ALDH1A1KDM4ETSHRHPGD
Eprobemide SCHEMBL570896 0.86 ALDH1A1 (0.85) SMN1; SMN2ALDH1A1KDM4ETSHRCD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO claimed
CN-103408540-A 2-imidazole ring-substituted thiophene PLK1 (Polo-like kinase 1) inhibitors and applications thereof UNIV CHINA PHARMA 2013-11-27 CN claimed
JP-4695588-B2 2011-06-08 JP claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
JP-2006519232-A 2006-08-24 JP claimed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP claimed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO claimed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
CN-103408540-A 2-imidazole ring-substituted thiophene PLK1 (Polo-like kinase 1) inhibitors and applications thereof UNIV CHINA PHARMA 2013-11-27 CN disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 SMN1; SMN2 4123/4885ALDH1A1 4309/4885KDM4E 2279/4885
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA SMN1; SMN2 4674/4885ALDH1A1 1029/4885KDM4E 899/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK SMN1; SMN2 4020/4885ALDH1A1 554/4885KDM4E 3385/4885

“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.