SCHEMBL5088302

SCHEMBL5088302

CNC(=O)COc1cc(C(=N)N)ccc1CNC(=O)c1cc(Cl)cc(C(=O)OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.63
F2 P00734 3/20 0.41
ANO1 Q5XXA6 1/20 0.37
ANO2 Q9NQ90 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
NLRP1 Q9C000 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
DDR1 Q08345 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL5088297 0.99 F10 (0.62) F10F2ANO1ANO2LMNA
SCHEMBL8267012 0.93 F10 (0.67) F10F2ANO1ANO2LMNA
Hydrochloric Acid SCHEMBL5900590 0.92 F10 (0.66) F10F2ANO1ANO2LMNA
SCHEMBL5094724 0.91 F10 (0.66) F10F2ANO1ANO2LMNA
SCHEMBL8265005 0.91 F10 (0.61) F10F2ANO1ANO2LMNA
Hydrochloric Acid SCHEMBL5900684 0.90 F10 (0.60) F10F2ANO1ANO2LMNA
SCHEMBL8265313 0.90 F10 (0.62) F10F2ANO1ANO2LMNA
SCHEMBL8264960 0.90 F10 (0.62) F10F2ANO1ANO2LMNA
Hydrochloric Acid SCHEMBL5188512 0.89 F10 (0.61) F10F2ANO1ANO2LMNA
Hydrochloric Acid SCHEMBL5900755 0.89 F10 (0.61) F10F2ANO1ANO2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008512364-A 2008-04-24 JP claimed
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP claimed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US claimed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO claimed
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 F10 8/4885F2 11/4885ANO1 1448/4885

“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.