SCHEMBL727336

SCHEMBL727336

CNC(=O)c1sc(C)nc1-c1ccc(OCCCCCOc2ccc(C(=N)NO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK1 P53350 1/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC6 Q9UBN7 3/20 0.38
RARB P10826 3/20 0.37
GAA P10253 1/20 0.37
JAK2 O60674 1/20 0.37
HCRTR1 O43613 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL727355 0.90 HRH3 (0.42) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL727604 0.90 POLB (0.44) PLK1SMPD1HDAC1HDAC2HDAC6
SCHEMBL727503 0.84 ALDH1A1 (0.48) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL727633 0.83 MEN1 (0.38) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL728972 0.82 PRMT1 (0.41) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL727506 0.81 MEN1 (0.45) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL729154 0.81 MEN1 (0.47) MEN1KMT2ARARBGAA
SCHEMBL729312 0.81 SMN1; SMN2 (0.58) KMT2AGAA
SCHEMBL727882 0.81 HDAC1 (0.37) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL729742 0.81 MEN1 (0.37) MEN1KMT2AHDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529876-A 2011-12-15 JP claimed
US-8008329-B2 Method of treating or preventing osteoporosis comprising administering to a patient in need thereof an effective amount of pharmacuetical composition comprising benzamidine derivative or it's salt, and bisphosphonate DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-08-30 US claimed
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 claimed
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 claimed
EP-2307016-A2 A PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING BENZAMIDINE DERIVATIVE OR ITS SALT, AND BISPHOSPHONATE Dong Wha Pharmaceutical Co., Ltd. (KR) 2011-04-13 EP claimed
WO-2010013975-A2 A PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING BENZAMIDINE DERIVATIVE OR ITS SALT, AND BISPHOSPHONATE DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2010-02-04 WO claimed
US-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE Dong Wha Pharm, Co. Ltd. (KR) 2010-02-04 US claimed
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 claimed
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 claimed
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 claimed
US-8008329-B2 Method of treating or preventing osteoporosis comprising administering to a patient in need thereof an effective amount of pharmacuetical composition comprising benzamidine derivative or it's salt, and bisphosphonate DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-08-30 US 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
EP-2307016-A2 A PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING BENZAMIDINE DERIVATIVE OR ITS SALT, AND BISPHOSPHONATE Dong Wha Pharmaceutical Co., Ltd. (KR) 2011-04-13 EP disclosed
WO-2010013975-A2 A PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING BENZAMIDINE DERIVATIVE OR ITS SALT, AND BISPHOSPHONATE DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2010-02-04 WO disclosed
US-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE Dong Wha Pharm, Co. Ltd. (KR) 2010-02-04 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 (2 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 MEN1 1621/4885KMT2A 1251/4885PLK1 3779/4885
US-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE SOST, BPGM, PTH1R MEN1 841/4885KMT2A 2450/4885PLK1 3756/4885

“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.