SCHEMBL6031035

SCHEMBL6031035

c1ccc(COCCn2cnc3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.74
▸ LMNA P02545 6/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ HTT P42858 3/20 0.65
▸ LTA4H P09960 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.62
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ AGER Q15109 1/20 0.61
▸ CYP11B1 P15538 2/20 0.59
▸ CYP11B2 P19099 2/20 0.59
▸ TNF P01375 1/20 0.59
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ RAB9A P51151 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ EGLN3 Q9H6Z9 1/20 0.54

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
SCHEMBL352045 0.87 SMN1; SMN2 (0.96) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL352367 0.85 SMN1; SMN2 (1.00) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL29924240 0.85 SMN1; SMN2 (1.00) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL351186 0.85 SMN1; SMN2 (1.00) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL1623128 0.84 AGER (0.64) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL7138429 0.84 LTA4H (0.80) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL1026457 0.81 SMN1; SMN2 (0.79) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL5377421 0.80 SMN1; SMN2 (0.82) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL784573 0.79 HTT (1.00) SMN1; SMN2LMNAL3MBTL1HTTLTA4H
SCHEMBL501944 0.79 SMN1; SMN2 (0.85) SMN1; SMN2LMNAL3MBTL1HTTLTA4H

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 SMN1; SMN2 4581/4885LMNA 2335/4885L3MBTL1 3557/4885

“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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