SCHEMBL2816619

SCHEMBL2816619

CC(=O)c1ccc(OCCCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.88
MAPT P10636 1/20 0.88
GAA P10253 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.74
MAOB P27338 2/20 0.58
HRH2 P25021 2/20 0.58
HRH1 P35367 2/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MMP3 P08254 2/20 0.54
MMP2 P08253 2/20 0.54
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL7045417 0.86 MAPT (0.70) ALDH1A1MAPTGAAL3MBTL1MAOB
SCHEMBL18868405 0.86 L3MBTL1 (1.00) ALDH1A1MAPTGAAL3MBTL1MAOB
SCHEMBL7392055 0.85 ALDH1A1 (0.68) ALDH1A1MAPTGAAL3MBTL1MAOB
SCHEMBL2744788 0.84 RAB9A (0.72) ALDH1A1MAPTGAAL3MBTL1HDAC1
SCHEMBL20463317 0.83 ALDH1A1 (0.74) ALDH1A1MAPTL3MBTL1MAOBRAB9A
SCHEMBL163209 0.82 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL7387284 0.82 HRH3 (0.66) ALDH1A1MAPTL3MBTL1MAOBHRH2
SCHEMBL7983991 0.82 HRH3 (0.66) ALDH1A1MAPTL3MBTL1MAOBHRH2
SCHEMBL5526919 0.82 HRH3 (0.66) ALDH1A1MAPTL3MBTL1MAOBHRH2
SCHEMBL12408526 0.82 HRH3 (0.66) ALDH1A1MAPTL3MBTL1MAOBHRH2

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 ALDH1A1 3402/4885MAPT 3701/4885GAA 298/4885

“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.