SCHEMBL7933862

SCHEMBL7933862

O=C(CS)Nc1ccc(Br)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 1/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
IDO1 P14902 1/20 0.44
RAB9A P51151 1/20 0.42

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
SCHEMBL29263285 0.83 GSTO1 (0.57) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL22324856 0.81 ALDH1A1 (0.56) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL7925078 0.80 ALDH1A1 (0.68) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL7923958 0.80 KMT2A (0.68) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL7931405 0.80 MAPT (0.59) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL1137180 0.79 MAOB (0.51) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL23301933 0.78 TSHR (0.46) KMT2AMEN1MAPTPOLBMAOB
SCHEMBL29724009 0.78 TSHR (0.46) KMT2AMEN1MAPTPOLBMAOB
SCHEMBL8859862 0.77 KIF11 (0.61) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL9335 0.77 IDO1 (0.65) KMT2AMEN1MAPTPOLBL3MBTL1

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 KMT2A 799/4885MEN1 938/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885MEN1 1392/4885MAPT 2849/4885

“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.