SCHEMBL1780120

SCHEMBL1780120

N#Cc1ccc(OCCCCCOc2ccc(C(=O)CCCCl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MMP3 P08254 2/20 0.52
MMP2 P08253 2/20 0.51
RAB9A P51151 1/20 0.50
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
NPC1 O15118 1/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
MMP1 P03956 2/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
GSK3B P49841 1/20 0.47
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3303569 0.85 GSK3B (0.56) MAPTALDH1A1L3MBTL1MMP3RAB9A
SCHEMBL2810270 0.82 GSK3B (0.73) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL2744788 0.82 RAB9A (0.72) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL6731770 0.81 HRH3 (0.58) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL1778067 0.81 HRH3 (0.58) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL11705672 0.80 L3MBTL1 (0.76) MAPTALDH1A1L3MBTL1THRATHRB
SCHEMBL3900534 0.80 MMP3 (0.49) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL8748087 0.79 HRH3 (0.56) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL2816619 0.79 ALDH1A1 (0.88) MAPTALDH1A1HDAC1HDAC2L3MBTL1
SCHEMBL10970059 0.79 HDAC1 (0.63) MAPTALDH1A1HDAC1HDAC2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979334-B1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARM CO LTD (KR) 2011-06-22 EP disclosed
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
EP-1979334-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2008-10-15 EP disclosed
WO-2007089101-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL IND.CO., LTD. (KR) 2007-08-09 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-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOST, BMP4, BST2 MAPT 3824/4885ALDH1A1 3235/4885HDAC1 1552/4885

“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.