SCHEMBL12600910

SCHEMBL12600910

CCOC(=O)C(Br)C(=O)c1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.44
PPARG P37231 2/20 0.43
EPHX2 P34913 1/20 0.43
ALOX5 P09917 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC1 Q13547 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PPARA Q07869 1/20 0.42
MMP8 P22894 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTPN1 P18031 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL396482 0.85 MEN1 (0.56) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL16598007 0.80 NPC1 (0.51) SMN1; SMN2MAPTPPARGKMT2AMEN1
SCHEMBL17430616 0.80 MEN1 (0.44) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL12600893 0.80 HDAC8 (0.51) HDAC8SMN1; SMN2EPHX2NPC1HDAC1
SCHEMBL25340300 0.79 SMN1; SMN2 (0.69) HDAC8SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL13131235 0.79 HDAC8 (0.54) HDAC8SMN1; SMN2PPARGKMT2AMEN1
SCHEMBL8791280 0.79 LMNA (0.46) SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9530414 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTALOX5MMP8
SCHEMBL691016 0.77 MAPT (0.46) MAPTKMT2AMEN1NPC1
SCHEMBL22673995 0.77 CA1 (0.58) SMN1; SMN2MAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943646-B2 Benzamidine derivative, process for the preparation thereof and pharmaceutical composition comprising same DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-05-17 US disclosed
US-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME DONGWHA PHARMACEUTICAL IND. CO., LTD. (KR) 2009-02-26 US 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-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOST, BMP4, BST2 HDAC8 1268/4885SMN1; SMN2 3543/4885MAPT 3824/4885

“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.