SCHEMBL5176064

SCHEMBL5176064

COC(=O)c1cc(Cl)cc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MAOA P21397 4/20 0.57
MAOB P27338 4/20 0.57
NR4A2 P43354 2/20 0.55
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SMPD1 P17405 1/20 0.51
KDM5A P29375 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
RXRA P19793 1/20 0.48

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
SCHEMBL12221470 0.92 NPC1 (0.57) NPC1RAB9AMAOAMAOBNR4A2
SCHEMBL7420476 0.90 LMNA (0.62) NPC1RAB9AMAOAMAOBNR4A2
SCHEMBL5177852 0.88 MRGPRX4 (0.50) NPC1RAB9AMAOAMAOBNR4A2
SCHEMBL11218725 0.84 NPC1 (0.86) NPC1RAB9AMAOAMAOBNR4A2
SCHEMBL5177240 0.84 NR4A2 (0.71) NPC1RAB9AMAOAMAOBNR4A2
SCHEMBL2256044 0.79 SMPD1 (0.59) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL183994 0.79 LMNA (0.70) NPC1RAB9AMAOBNR4A2MEN1
SCHEMBL391547 0.79 MEN1 (0.71) NPC1RAB9AMAOBNR4A2MEN1
SCHEMBL694037 0.79 RXRA (0.72) NPC1RAB9AMAOAMAOBNR4A2
SCHEMBL2957643 0.78 MAPT (0.55) NPC1RAB9AMAOAMAOBMEN1

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 NPC1 4627/4885RAB9A 1609/4885MAOA 130/4885

“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.