SCHEMBL3030176

SCHEMBL3030176

[S]CCCCc1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.55
ASIC3 Q9UHC3 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
AGXT P21549 1/20 0.50
ADRB2 P07550 1/20 0.50
GLS O94925 1/20 0.43
ADRA1D P25100 2/20 0.42
CTRC Q99895 1/20 0.38
MGLL Q99685 1/20 0.38
IDH1 O75874 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL368353 0.82 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2096518 0.82 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL3030177 0.82 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2091527 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL1687607 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL24614167 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL9347724 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL9347774 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL9587702 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL346786 0.80 CYP2A6 (0.56) CYP2A6ASIC3LOXL2AGXTADRB2

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-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA CYP2A6 306/4885ASIC3 4488/4885LOXL2 2145/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 CYP2A6 975/4885ASIC3 4742/4885LOXL2 1687/4885

“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.