SCHEMBL7932192

SCHEMBL7932192

Cn1nc(-c2ccccc2)cc1NC(=O)CS

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
POLB P06746 3/20 0.59
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
XBP1 P17861 1/20 0.55
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SOAT2 O75908 2/20 0.50
SOAT1 P35610 2/20 0.50
GPR142 Q7Z601 1/20 0.50
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 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
SCHEMBL15656086 0.82 MAPT (0.64) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL7932253 0.81 LMNA (0.71) MAPTPOLBNPSR1ALDH1A1LMNA
SCHEMBL13975008 0.81 MAPT (0.63) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL1865256 0.80 SOAT1 (0.77) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL13678994 0.80 SOAT1 (0.65) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL13975027 0.79 MAPT (0.69) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL2858001 0.79 GRM5 (0.70) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL1869316 0.79 SOAT2 (0.61) MAPTPOLBRAB9ANPSR1XBP1
SCHEMBL7934313 0.78 MAPT (0.79) MAPTPOLBNPSR1ALDH1A1LMNA
SCHEMBL4012036 0.77 MAPT (0.61) MAPTPOLBRAB9ANPSR1XBP1

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 MAPT 1781/4885POLB 1320/4885RAB9A 3098/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885POLB 3799/4885RAB9A 1619/4885

“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.