SCHEMBL1776014

SCHEMBL1776014

N#Cc1ccc(OCCCCCOc2ccc(-c3nc(N)sc3CCCl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 9/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HRH2 P25021 7/20 0.40
HRH1 P35367 7/20 0.40
CYP3A4 P08684 1/20 0.40
MMP3 P08254 1/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
MMP2 P08253 1/20 0.37
AGER Q15109 1/20 0.37

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
SCHEMBL1777264 0.89 ALDH1A1 (0.41) HTTALDH1A1GAASMN1; SMN2HRH3
SCHEMBL27832553 0.87 HTT (0.38) HTTALDH1A1GAASMN1; SMN2MMP3
SCHEMBL1777276 0.86 MEN1 (0.44) HTTALDH1A1HRH3KDM4EHPGD
SCHEMBL2744621 0.81 SMN1; SMN2 (0.50) HTTALDH1A1SMN1; SMN2HRH3KDM4E
SCHEMBL1778571 0.81 HRH3 (0.62) ALDH1A1HRH3KDM4EHRH2HRH1
SCHEMBL727477 0.80 HTT (0.40) HTTALDH1A1GAASMN1; SMN2HRH3
SCHEMBL1777047 0.77 MEN1 (0.44) HTTALDH1A1HRH3KDM4EHPGD
SCHEMBL1778249 0.75 MEN1 (0.44) HTTALDH1A1HRH3KDM4EHPGD
SCHEMBL6709103 0.72 MMP3 (0.59) HTTALDH1A1HRH3KDM4EHPGD
SCHEMBL1778067 0.72 HRH3 (0.58) HTTALDH1A1HRH3KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379049-B Novel benzamidine derivatives, process for preparing the same, and pharmaceutical composition comprising the same DONG WHA PHARM IND CO LTD 2012-01-04 CN disclosed
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 HTT 3193/4885ALDH1A1 3235/4885GAA 481/4885

“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.