SCHEMBL729203

SCHEMBL729203

N=C(NO)c1ccc(OCCCCCOc2ccc(-c3nc(-c4ccccc4)sc3N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ ATP4A P20648 4/20 0.44
▸ ATP4B P51164 4/20 0.44
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PRMT1 Q99873 3/20 0.39
▸ F2 P00734 2/20 0.39
▸ ST14 Q9Y5Y6 2/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ SLC22A2 O15244 1/20 0.39

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
SCHEMBL727567 0.89 MAPT (0.41) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL727705 0.88 ATP4A (0.59) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL729025 0.86 ATP4A (0.48) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL729142 0.86 ATP4A (0.61) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL729179 0.85 ATP4A (0.46) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL727446 0.85 HDAC1 (0.46) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL728972 0.84 PRMT1 (0.41) HDAC1HDAC2HDAC6PRMT1F2
SCHEMBL728909 0.83 ATP4A (0.58) HDAC1HDAC2HDAC6ATP4AATP4B
SCHEMBL727905 0.82 DHFR (0.39) PRMT1F2ST14PLAUPRMT5
SCHEMBL727833 0.81 ATP4A (0.44) HDAC1HDAC2HDAC6ATP4AATP4B

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
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-20100249402-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEPOROSIS COMPRISING THE SAME DONG WHA PHARMACEUTICAL CO. LTD. (KR) 2010-09-30 — — US 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
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-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-20100249402-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEPOROSIS COMPRISING THE SAME DONG WHA PHARMACEUTICAL CO. LTD. (KR) 2010-09-30 — — US 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
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

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-20100249402-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEPOROSIS COMPRISING THE SAME SOST, CTSA, BECN1 HDAC1 1363/4885HDAC2 353/4885HDAC6 287/4885
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 HDAC1 305/4885HDAC2 233/4885HDAC6 259/4885

“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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