SCHEMBL6975532

SCHEMBL6975532

NCc1ccccc1OCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.49
BCL2A1 Q16548 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CASP1 P29466 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
CFD P00746 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
F7 P08709 1/20 0.41
TPSB2 P20231 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4837994 0.87 L3MBTL1 (0.65) HTTKDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL5362778 0.86 HTT (0.71) HTTKDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL11214715 0.85 L3MBTL1 (0.46) HTTKDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL7903525 0.85 KDM4E (0.61) HTTKDM4EL3MBTL1BCL2A1SMN1; SMN2
SCHEMBL15060188 0.85 KDM4E (0.61) HTTKDM4EL3MBTL1BCL2A1SMN1; SMN2
SCHEMBL6630373 0.83 HTT (0.59) HTTKDM4EL3MBTL1BCL2A1SMN1; SMN2
SCHEMBL2798208 0.83 HTT (0.59) HTTKDM4EL3MBTL1BCL2A1SMN1; SMN2
SCHEMBL3947553 0.81 L3MBTL1 (0.63) HTTKDM4EL3MBTL1BCL2A1SMN1; SMN2
SCHEMBL637156 0.80 KDM4E (0.56) HTTKDM4EL3MBTL1BCL2A1SMN1; SMN2
SCHEMBL22209067 0.80 HTT (0.60) HTTKDM4EL3MBTL1SMN1; SMN2TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934064-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-01-09 EP claimed
EP-0934064-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-08-11 EP claimed
WO-1998017274-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-04-30 WO claimed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 WO disclosed
EP-0934064-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2003-03-12 EP disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 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 (1 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 HTT 4880/4885KDM4E 1012/4885L3MBTL1 4296/4885

“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.