SCHEMBL1777633

SCHEMBL1777633

Cc1nc(-c2ccc(OCCCCCOc3ccc(C#N)cc3)cc2)c(CCNCC(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MMP3 P08254 3/20 0.36
HRH3 Q9Y5N1 9/20 0.36
HRH2 P25021 6/20 0.35
HRH1 P35367 6/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL1779109 0.84 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL729171 0.84 PRMT1 (0.44) MEN1KMT2AHRH3
SCHEMBL729094 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDHRH3
SCHEMBL1778249 0.82 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1777047 0.82 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1777276 0.82 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2813043 0.80 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL27850905 0.79 SCN10A (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1777709 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1L3MBTL1HDAC1
SCHEMBL3842184 0.78 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD

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
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
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 (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-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOST, BMP4, BST2 MEN1 1621/4885KMT2A 1251/4885KDM4E 206/4885

“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.