SCHEMBL7924804

SCHEMBL7924804

O=C(CS)Nc1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 11/20 0.70
MAPK1 P28482 2/20 0.70
TP53 P04637 1/20 0.70
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.68
POLB P06746 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
LMNA P02545 5/20 0.65
NPSR1 Q6W5P4 4/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 3/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL21392893 0.88 L3MBTL1 (0.71) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL9434692 0.86 L3MBTL1 (0.70) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL11782499 0.85 L3MBTL1 (0.72) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL9434834 0.84 L3MBTL1 (0.67) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL7930541 0.83 ADRA2C (0.72) L3MBTL1KMT2AMEN1POLBLMNA
SCHEMBL3518000 0.82 KMT2A (0.66) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL8787198 0.82 L3MBTL1 (0.64) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL7931375 0.80 KMT2A (0.80) KMT2AMEN1POLBCYP1A2CYP2C19
SCHEMBL11045465 0.80 L3MBTL1 (0.62) L3MBTL1MAPK1TP53KMT2AMEN1
SCHEMBL6783620 0.77 L3MBTL1 (0.55) L3MBTL1MAPK1TP53KMT2AMEN1

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 6 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-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
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 L3MBTL1 2203/4885MAPK1 4301/4885TP53 2232/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 L3MBTL1 3533/4885MAPK1 4679/4885TP53 4251/4885

“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.