SCHEMBL727332

SCHEMBL727332

Cc1nc(-c2ccc(OCCCCOc3ccc(C(=N)NO)c(F)c3)cc2)c(C(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NTRK1 P04629 1/20 0.33
RARG P13631 1/20 0.33
SMPD1 P17405 1/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 3/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KDR P35968 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
JAK2 O60674 1/20 0.30

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
SCHEMBL727593 0.99 MEN1 (0.33) MEN1KMT2ARARARARBHCRTR1
SCHEMBL727972 0.90 LSS (0.32) MEN1KMT2AHDAC1
SCHEMBL729333 0.89 MAOB (0.34) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL2821092 0.86 HCRTR1 (0.35) MEN1KMT2AHCRTR1HCRTR2HDAC1
SCHEMBL729234 0.85 MEN1 (0.38) MEN1KMT2ARARBHDAC1HDAC2
SCHEMBL727316 0.84 MEN1 (0.37) MEN1KMT2ARARBHDAC1HDAC2
SCHEMBL729742 0.84 MEN1 (0.37) MEN1KMT2ARARBHDAC1HDAC2
SCHEMBL727594 0.83 MEN1 (0.38) MEN1KMT2ARARBHCRTR1HCRTR2
SCHEMBL729376 0.82 HRH3 (0.32) HCRTR1HCRTR2HDAC1
SCHEMBL727338 0.82 BACE1 (0.37) MEN1KMT2AALDH1A1HPGD

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 5 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-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

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 MEN1 841/4885KMT2A 2450/4885RARA 941/4885

“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.