SCHEMBL5175746

SCHEMBL5175746

NC(=O)c1ccc(CBr)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GRM5 P41594 1/20 0.42
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ SARM1 Q6SZW1 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ SIRT4 Q9Y6E7 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL30557594 0.82 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5
SCHEMBL27779102 0.82 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5
SCHEMBL30024515 0.82 KCNJ1 (0.44) SMN1; SMN2L3MBTL1
SCHEMBL403213 0.82 P4HA1 (0.55) L3MBTL1GABRA5
SCHEMBL2937228 0.82 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5
SCHEMBL16213698 0.82 KCNJ1 (0.44) SMN1; SMN2L3MBTL1
SCHEMBL5234177 0.82 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5
SCHEMBL9786932 0.81 NNMT (0.55) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5
SCHEMBL5293898 0.81 NNMT (0.55) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5
SCHEMBL30826948 0.79 NNMT (0.53) NNMTSMN1; SMN2KDM4EL3MBTL1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 — — EP disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 — — 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 (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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 NNMT 996/4885SMN1; SMN2 4175/4885KDM4E 364/4885

“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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