SCHEMBL2812641

SCHEMBL2812641

N#Cc1ccc(OCCCCCOc2ccc(-c3nc(N4CCCCC4)sc3N3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
HRH1 P35367 4/20 0.49
HRH2 P25021 3/20 0.49
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
CETP P11597 1/20 0.42
ALDH1A1 P00352 4/20 0.42
AR P10275 4/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL2815666 0.85 HRH3 (0.52) HRH3HRH1HRH2ALOX5PTGS2
SCHEMBL2745723 0.83 HRH3 (0.50) HRH3HRH1HRH2ALDH1A1AR
SCHEMBL2810926 0.83 HRH3 (0.50) HRH3HRH1HRH2ALDH1A1
SCHEMBL2812634 0.83 HRH3 (0.49) HRH3HRH1HRH2ALOX5PTGS2
SCHEMBL727428 0.83 HDAC3 (0.42) HRH3ALOX5CETPALDH1A1AR
SCHEMBL729463 0.81 HDAC3 (0.42) HRH3ALOX5CETPALDH1A1AR
SCHEMBL1777827 0.81 HRH3 (0.61) HRH3HRH1HRH2ALOX5PTGS2
SCHEMBL729162 0.78 HDAC3 (0.44) ALOX5CETPALDH1A1ARGAA
SCHEMBL727754 0.75 HDAC3 (0.41) ALOX5CETPALDH1A1ARGAA
SCHEMBL2814440 0.74 RAB9A (0.54) HRH3HRH1HRH2ALDH1A1AR

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
US-20100249402-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEPOROSIS COMPRISING THE SAME DONG WHA PHARMACEUTICAL CO. LTD. (KR) 2010-09-30 US disclosed
EP-2170878-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING THE SAME Dong Wha Pharmaceutical Co., Ltd. (KR) 2010-04-07 EP disclosed
WO-2009017346-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEOPOROSIS COMPRISING THE SAME DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2009-02-05 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-20100249402-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OSTEPOROSIS COMPRISING THE SAME SOST, CTSA, BECN1 HRH3 167/4885HRH1 320/4885HRH2 76/4885

“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.