SCHEMBL7930528

SCHEMBL7930528

COc1ccc(C)c(NC(=O)CS)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.59
LMNA P02545 4/20 0.54
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.47
THRB P10828 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
SCHEMBL31554508 0.84 P2RX7 (0.59) P2RX7LMNAALDH1A1KMT2ANPSR1
SCHEMBL6939799 0.84 P2RX7 (0.59) P2RX7LMNAALDH1A1KMT2ANPSR1
SCHEMBL5807397 0.84 KMT2A (0.73) LMNAALDH1A1KMT2ANPSR1GAA
SCHEMBL7936035 0.83 P2RX7 (0.60) P2RX7LMNAALDH1A1KMT2ANPSR1
SCHEMBL9095943 0.83 POLB (0.64) P2RX7LMNAALDH1A1KMT2AGAA
SCHEMBL9095157 0.82 ALDH1A1 (0.61) P2RX7LMNAALDH1A1KMT2ANPSR1
SCHEMBL3704664 0.82 GAA (0.61) P2RX7LMNAALDH1A1KMT2ANPSR1
SCHEMBL21561682 0.80 HDAC3 (0.62) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL359701 0.80 MAPT (0.56) P2RX7LMNAALDH1A1KMT2AGAA
SCHEMBL7925076 0.80 ALDH1A1 (0.61) LMNAALDH1A1KMT2AGAAMEN1

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 P2RX7 3628/4885LMNA 1805/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 P2RX7 969/4885LMNA 1069/4885ALDH1A1 2213/4885

“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.