SCHEMBL729231

SCHEMBL729231

CCc1sc(N(C)Cc2cccnc2)nc1-c1ccc(OCCCOc2ccc(C(=N)NO)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
TSHR P16473 1/20 0.38
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAPK1 P28482 1/20 0.36
LTA4H P09960 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL727420 0.98 ATP4A (0.40) ATP4AATP4BTSHRLMNAMAPT
SCHEMBL729260 0.97 ATP4A (0.40) ATP4AATP4BTSHRLMNAMAPT
SCHEMBL729450 0.91 AGER (0.40) ATP4AATP4BTSHRLMNAMAPT
SCHEMBL729169 0.90 ATP4A (0.40) ATP4AATP4BTSHRLMNAMAPT
SCHEMBL728924 0.89 ATP4A (0.39) ATP4AATP4BTSHRLMNAMAPT
SCHEMBL727670 0.88 ATP4A (0.46) ATP4AATP4BKMT2A
SCHEMBL729213 0.87 ATP4A (0.37) ATP4AATP4BTSHRLMNAMAPT
SCHEMBL728899 0.86 TP53 (0.35) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL729058 0.85 MMP9 (0.38) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL729328 0.84 ROCK2 (0.42)

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
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
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-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

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-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 ATP4A 1625/4885ATP4B 1546/4885TSHR 2123/4885

“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.