SCHEMBL3592299

SCHEMBL3592299

O/N=C1\CC2CCCc3cccc1c32

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR3B O95264 1/20 0.40
ADRA2A P08913 1/20 0.40
KCNE1 P15382 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL3592301 1.00 HPGD (0.47) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL12137809 0.88 HPGD (0.51) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL7878541 0.88 HPGD (0.51) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL7878542 0.88 HPGD (0.51) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL3586036 0.76 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL829452 0.71 TSHR (0.43) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL11524815 0.71 HTR3B (0.47) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL12137802 0.70 HTR3B (0.39) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL12137822 0.70 HTR3B (0.39) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL830902 0.69 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3

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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 HPGD 2876/4885L3MBTL1 1676/4885LMNA 4335/4885

“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.