SCHEMBL5178010

SCHEMBL5178010

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 2/20 0.45
LMNA P02545 3/20 0.43
RAPGEF3 O95398 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 4/20 0.42

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
SCHEMBL19009074 0.88 HSD17B10 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL30607067 0.83 TPMT (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28582621 0.83 TPMT (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12852694 0.81 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL5177009 0.81 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21840007 0.80 HSD17B10 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL67540 0.80 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL588343 0.80 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL18176016 0.79 MAPT (0.59) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19002525 0.76 NOTUM (0.59) ALDH1A1MAPTHSD17B10LMNACA12

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 965/4885MAPT 4621/4885MEN1 1702/4885

“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.