SCHEMBL7930541

SCHEMBL7930541

O=C(CS)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.72
L3MBTL1 Q9Y468 6/20 0.70
GAA P10253 4/20 0.70
POLB P06746 2/20 0.67
ATM Q13315 1/20 0.65
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
RECQL P46063 1/20 0.58
PKM P14618 1/20 0.57
KDM4E B2RXH2 3/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL10027978 0.88 ADRA2C (0.79) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL11728156 0.84 ADRA2C (0.72) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL31028403 0.84 ADRA2C (0.72) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL7720888 0.84 L3MBTL1 (0.74) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL18666145 0.84 ADRA2C (1.00) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL8150888 0.84 ADRA2C (0.72) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL7924804 0.83 L3MBTL1 (0.70) L3MBTL1GAAPOLBALDH1A1MEN1
SCHEMBL10027953 0.83 L3MBTL1 (0.81) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL18415528 0.81 ADRA2C (0.68) ADRA2CL3MBTL1GAAPOLBATM
SCHEMBL10784048 0.81 ADRA2C (0.68) ADRA2CL3MBTL1GAAPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ADRA2C 4828/4885L3MBTL1 2203/4885GAA 43/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ADRA2C 296/4885L3MBTL1 3533/4885GAA 112/4885

“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.