SCHEMBL5176554

SCHEMBL5176554

COC(=O)c1cc(Cl)cc(NC(=O)CCCCl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
XBP1 P17861 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BLM P54132 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL475604 0.91 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13598611 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5218074 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5217328 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5219349 0.83 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5219580 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL25336108 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL29569513 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5216830 0.81 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTXBP1
SCHEMBL5224165 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTHPGD

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 ALDH1A1 965/4885MEN1 1702/4885KMT2A 948/4885

“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.