SCHEMBL727594

SCHEMBL727594

Cc1nc(-c2ccc(OCCCOc3ccc(C(=N)NO)cc3)cc2)c(C(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TMPRSS2 O15393 1/20 0.35
PRSS1 P07477 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RARB P10826 1/20 0.34
HDAC1 Q13547 2/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
XIAP P98170 1/20 0.33
SMPD1 P17405 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL729234 0.98 MEN1 (0.38) MEN1KMT2ATMPRSS2PRSS1ALDH1A1
SCHEMBL727316 0.97 MEN1 (0.37) MEN1KMT2ATMPRSS2PRSS1RARB
SCHEMBL729742 0.97 MEN1 (0.37) MEN1KMT2ATMPRSS2PRSS1RARB
SCHEMBL729392 0.94 MEN1 (0.36) MEN1KMT2APRSS1ALDH1A1HPGD
SCHEMBL729307 0.93 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDHDAC1
SCHEMBL1685013 0.92 MEN1 (0.36) MEN1KMT2AALDH1A1RARBHDAC1
SCHEMBL3175452 0.92 MEN1 (0.36) MEN1KMT2AALDH1A1RARBHDAC1
SCHEMBL727879 0.90 HRH3 (0.42) MEN1KMT2AHRH3
SCHEMBL729299 0.90 MEN1 (0.34) MEN1KMT2AALDH1A1HPGDHDAC1
SCHEMBL727828 0.90 GCGR (0.35) MEN1KMT2ATMPRSS2PRSS1HDAC1

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 20 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
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-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
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
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
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-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-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
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
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
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 (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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 MEN1 1422/4885KMT2A 2040/4885TMPRSS2 624/4885
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 2450/4885TMPRSS2 1643/4885

“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.