SCHEMBL7932255

SCHEMBL7932255

Cc1cnc(NC(=O)CS)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7091347 0.80 MAPT (0.47) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL7933385 0.78 ALDH1A1 (0.44) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL2922008 0.75 ALDH1A1 (0.69) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL10310184 0.72 MAPT (0.41) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL5158886 0.72 MAPT (0.44) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL7936580 0.72 ABL1 (0.43) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL2305246 0.72 DEGS1 (0.50) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL7853834 0.71 MAPT (0.51) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL15426468 0.70 MAPT (0.37) MAPTKDM4EALDH1A1HDAC6RAB9A
SCHEMBL12101150 0.69 RAB9A (0.66) MAPTKDM4ERAB9AMEN1KMT2A

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 1274/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885KDM4E 1963/4885ALDH1A1 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.