SCHEMBL2745586

SCHEMBL2745586

Cc1sc(C(C)C)nc1-c1ccc(OCCCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MMP3 P08254 2/20 0.40
HRH3 Q9Y5N1 9/20 0.40
HRH2 P25021 5/20 0.39
HRH1 P35367 5/20 0.39
MAPT P10636 1/20 0.39
MMP2 P08253 2/20 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
SCHEMBL2813815 0.85 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL2744621 0.83 SMN1; SMN2 (0.50) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL3842184 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL727235 0.81 PRMT1 (0.53) HRH3
SCHEMBL2745522 0.79 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL729007 0.79 ATP4A (0.38) ALDH1A1ATP4AATP4BHDAC1HDAC2
SCHEMBL2745723 0.77 HRH3 (0.50) ALDH1A1HPGDKDM4EHTTHRH3
SCHEMBL2814210 0.76 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL2813043 0.74 MEN1 (0.46) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL2813546 0.74 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781629-B1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARM CO LTD (KR) 2015-07-29 EP disclosed
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
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 ALDH1A1 1751/4885HPGD 1617/4885KDM4E 1350/4885

“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.