SCHEMBL7935581

SCHEMBL7935581

O=C(CS)Nc1ccccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
PPIA P62937 3/20 0.54
GAA P10253 3/20 0.51
SGMS2 Q8NHU3 2/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.48
FOLH1 Q04609 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7298832 0.86 BRD4 (0.70) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL13652590 0.85 BRD4 (0.73) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL5174575 0.85 BRD4 (0.68) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL3619403 0.84 BRD4 (0.77) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL4297414 0.83 BRD4 (0.74) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL8924076 0.81 BRD4 (1.00) BRD4L3MBTL1TDP1PPIAKMT2A
SCHEMBL18051152 0.80 BRD4 (0.66) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL7935544 0.80 PPIA (0.68) PPIA
SCHEMBL11549645 0.80 BRD4 (0.70) BRD4L3MBTL1TDP1PPIAGAA
SCHEMBL38660185 0.80 BRD4 (0.70) BRD4L3MBTL1TDP1PPIAGAA

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 BRD4 1051/4885L3MBTL1 2203/4885TDP1 1941/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 BRD4 3251/4885L3MBTL1 3533/4885TDP1 2088/4885

“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.