SCHEMBL6029552

SCHEMBL6029552

O=C(O)COCc1nc2ccccc2n1CCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ LMNA P02545 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RECQL P46063 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL3397760 0.76 L3MBTL1 (0.78) KMT2ATSHRMEN1L3MBTL1MAPT
SCHEMBL8319438 0.76 TSHR (0.72) KMT2ATSHRMEN1L3MBTL1MAPT
SCHEMBL19714271 0.75 CYP1A2 (0.59) KMT2AMEN1L3MBTL1MAPTTP53
SCHEMBL6030662 0.75 KDM4E (0.52) KMT2ATSHRMEN1L3MBTL1MAPT
SCHEMBL15559434 0.74 L3MBTL1 (0.66) KMT2ATSHRMEN1L3MBTL1MAPT
SCHEMBL6029558 0.74 SMN1; SMN2 (0.48) KMT2ATSHRMEN1L3MBTL1MAPT
SCHEMBL231282 0.72 TSHR (0.61) KMT2ATSHRL3MBTL1MAPTRAB9A
SCHEMBL1956559 0.71 TSHR (0.54) KMT2ATSHRL3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7053203 0.71 TSHR (0.58) KMT2ATSHRL3MBTL1MAPTRAB9A
SCHEMBL4226282 0.71 TSHR (0.58) KMT2ATSHRL3MBTL1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2080/4885TSHR 320/4885MEN1 800/4885

“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.

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