SCHEMBL1685013

SCHEMBL1685013

CS(=O)(=O)O.CS(=O)(=O)O.Cc1nc(-c2ccc(OCCCCCOc3ccc(C(=N)NO)cc3)cc2)c(C(C)C)s1

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 1/20 0.33
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
BRCA1 P38398 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
PKM P14618 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 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
SCHEMBL3175452 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL729742 0.95 MEN1 (0.37) MEN1KMT2ARARBHDAC1HDAC6
SCHEMBL727316 0.95 MEN1 (0.37) MEN1KMT2ARARBHDAC1HDAC6
SCHEMBL729234 0.94 MEN1 (0.38) MEN1KMT2AALDH1A1RARBHDAC1
SCHEMBL727594 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1RARBHDAC1
SCHEMBL727828 0.90 GCGR (0.35) MEN1KMT2APTPN2PTPN1HDAC1
SCHEMBL3175456 0.89 MEN1 (0.35) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL729392 0.88 MEN1 (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL729307 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1HDAC1
SCHEMBL727800 0.86 HDAC1 (0.35) MEN1KMT2AHDAC1HDAC6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701722-B1 N-HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY¨]PENTOXY}BENZAMIDINE 2 METHANSULFONIC ACID SALT DONG WHA PHARM CO LTD (KR) 2009-10-14 EP claimed
US-7964584-B2 Method of treating or preventing osteoporosis comprising administering to a patient in need thereof an effective amount of pharmaceutical composition comprising benzamidine derivatives or their salts, and alendronic acid or its salt DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-06-21 US disclosed
EP-2307015-A2 A PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING BENZAMIDINE DERIVATIVES OR THEIR SALTS, AND ALENDRONIC ACID OR ITS SALT Dong Wha Pharmaceutical Co., Ltd. (KR) 2011-04-13 EP disclosed
WO-2010013969-A2 A PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING BENZAMIDINE DERIVATIVES OR THEIR SALTS, AND ALENDRONIC ACID OR ITS SALT DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2010-02-04 WO disclosed
US-20100029595-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACEUTICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVES OR THEIR SALTS, AND ALENDRONIC ACID OR ITS SALT DONG WHA PHARM. CO., LTD. (KR) 2010-02-04 US disclosed
EP-1701722-B1 N-HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY¨]PENTOXY}BENZAMIDINE 2 METHANSULFONIC ACID SALT DONG WHA PHARM CO LTD (KR) 2009-10-14 EP 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-20100029595-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACEUTICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVES OR THEIR SALTS, AND ALENDRONIC ACID OR ITS SALT SOST, PTH1R, BPGM F2 4561/4885MEN1 400/4885KMT2A 1634/4885

“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.