SCHEMBL7929907

SCHEMBL7929907

CCn1c2ccccc2c2cc(NC(=O)CS)ccc21

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.79
KDM4E B2RXH2 6/20 0.79
LMNA P02545 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.74
NPY5R Q15761 6/20 0.73
ALDH1A1 P00352 1/20 0.70
RORC P51449 6/20 0.69
HPGD P15428 2/20 0.69

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
SCHEMBL14199692 0.89 MAPT (0.82) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL1593423 0.87 MAPT (0.79) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL7722834 0.87 MAPT (0.81) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4863449 0.87 MAPT (0.79) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4725254 0.86 MAPT (0.85) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL7722815 0.85 NPSR1 (1.00) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4728393 0.85 KDM4E (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4728842 0.85 NPY5R (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL1593514 0.85 KDM4E (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4728399 0.85 KDM4E (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1

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 MAPT 1781/4885KDM4E 1274/4885LMNA 1805/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885KDM4E 1963/4885LMNA 1069/4885

“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.