SCHEMBL729059

SCHEMBL729059

CC(C)c1nc(-c2ccc(OCCCCCOc3ccc(C(=N)NO)cc3)cc2)c(CCNCCN2CCOCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.45
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LSS P48449 2/20 0.40
ALDH1A1 P00352 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 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
SCHEMBL729309 0.94 HRH3 (0.49) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL729137 0.90 HRH3 (0.43) HRH3LSSALDH1A1THRATHRB
SCHEMBL729341 0.89 TRPV4 (0.43) HRH3LSSALDH1A1THRATHRB
SCHEMBL729358 0.88 HRH3 (0.41) HRH3LSSTHRATHRBKDM4E
SCHEMBL729454 0.88 CETP (0.41) HRH3LSSTHRATHRBKDM4E
SCHEMBL729451 0.86 AGER (0.46) HRH3NPC1RAB9AALDH1A1THRA
SCHEMBL727902 0.85 BMPR1B (0.42) HRH3LSSKDM4ESMN1; SMN2
SCHEMBL727562 0.85 AGER (0.38) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL729332 0.83 HRH3 (0.46) HRH3LSSALDH1A1THRATHRB
SCHEMBL728894 0.83 HRH3 (0.41) HRH3KMT2ALSSALDH1A1THRA

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 HRH3 120/4885MEN1 1621/4885NPC1 2456/4885
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 HRH3 64/4885MEN1 841/4885NPC1 1075/4885

“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.