SCHEMBL2745593

SCHEMBL2745593

CC(CNc1nc(-c2ccc(OCCCCCOc3ccc(C(=N)NO)cc3)cc2)cs1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HTT P42858 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ITGB3 P05106 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ PTPN1 P18031 3/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL727549 0.80 RAB9A (0.50) LMNAMAPTSMN1; SMN2ALDH1A1PTPN1
SCHEMBL727424 0.80 RAB9A (0.54) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL728214 0.78 RAB9A (0.46) LMNAMAPTSMN1; SMN2PTPN1PTPN2
SCHEMBL727720 0.76 PTPN1 (0.50) LMNAMAPTSMN1; SMN2KDM4EPTPN1
SCHEMBL729013 0.76 ATP4A (0.39) MAPTHRH3PTPN1PTPN2HDAC3
SCHEMBL727309 0.75 MAPK1 (0.45) LMNAMAPTSMN1; SMN2MAPK1HRH3
SCHEMBL729187 0.74 ATP4A (0.55) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL727531 0.73 PTPN1 (0.47) LMNAMAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL727960 0.73 LTA4H (0.48) MAPTSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL727722 0.72 ADRB1 (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781629-B1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARM CO LTD (KR) 2015-07-29 — — EP claimed
US-8178688-B2 Benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2012-05-15 — — US claimed
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 — — US claimed
JP-2008509134-A — — 2008-03-27 — — JP claimed
EP-1781629-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2007-05-09 — — EP claimed
WO-2006014087-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL. IND. CO., LTD. (KR) 2006-02-09 — — WO claimed
EP-1781629-B1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARM CO LTD (KR) 2015-07-29 — — EP disclosed
US-8178688-B2 Benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2012-05-15 — — US disclosed
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 — — US disclosed
EP-1781629-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2007-05-09 — — EP disclosed
WO-2006014087-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL. IND. CO., LTD. (KR) 2006-02-09 — — 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 LMNA 2079/4885MAPT 2826/4885SMN1; SMN2 2964/4885

“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.

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