SCHEMBL6028317

SCHEMBL6028317

Oc1ccc(Cl)cc1C1=N[N]C=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
IDO1 P14902 6/20 0.47
EPHX2 P34913 1/20 0.44
HPGD P15428 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
ALOX15 P16050 4/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX12 P18054 2/20 0.38
HTT P42858 4/20 0.37
HSP90AA1 P07900 2/20 0.37

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
SCHEMBL6242615 0.73 HSD17B10 (0.62) PIM1IDO1EPHX2HPGDMEN1
SCHEMBL31093991 0.73 HSD17B10 (0.62) PIM1IDO1EPHX2HPGDMEN1
Methane SCHEMBL28042257 0.71 HSD17B10 (0.59) PIM1IDO1EPHX2HPGDMEN1
SCHEMBL9465915 0.70 PDE3B (0.35) RXFP1
SCHEMBL3516703 0.70 CYP1A2 (0.39) LMNAHSD17B10TSHRSMN1; SMN2TP53
SCHEMBL29913405 0.69 IDO1 (0.65) PIM1IDO1EPHX2HPGDMEN1
SCHEMBL9441987 0.67 PIM1 (0.52) PIM1IDO1EPHX2HPGDMEN1
SCHEMBL293609 0.66 CYP2A6 (0.41) IDO1HPGDKMT2ALMNAHSD17B10
SCHEMBL2044791 0.66 PIM1 (1.00) PIM1IDO1EPHX2HPGDMEN1
SCHEMBL17916235 0.65 HSP90AA1 (0.56) PIM1IDO1EPHX2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894235-A N-(4-carbamimidoyl-benzyl) -2-alkoxy-2-heterocyclyl acetamides as inhibitors of the formation of coagulation factors xa, ixa and thrombin induced by factor viia HOFFMANN LA ROCHE (CH) 2007-01-10 CN claimed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP claimed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US claimed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US claimed
CN-1894235-A N-(4-carbamimidoyl-benzyl) -2-alkoxy-2-heterocyclyl acetamides as inhibitors of the formation of coagulation factors xa, ixa and thrombin induced by factor viia HOFFMANN LA ROCHE (CH) 2007-01-10 CN disclosed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 PIM1 3797/4885IDO1 1514/4885EPHX2 962/4885

“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.