SCHEMBL7923958

SCHEMBL7923958

Cc1ccc(NC(=O)CS)cc1F

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 3/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL7933600 0.87 POLB (0.54) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL25668722 0.85 KMT2A (0.69) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2639132 0.84 POLB (0.76) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL10369646 0.83 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL19026758 0.82 KMT2A (0.66) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7930525 0.81 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8437059 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4118553 0.80 NPC1 (0.69) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL5172599 0.80 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7933862 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTLMNA

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 938/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885MEN1 1392/4885ALDH1A1 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.