SCHEMBL7932232

SCHEMBL7932232

Cc1ccc(Cl)c(NC(=O)CS)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL7282859 0.85 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL12900894 0.85 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL31570100 0.83 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL21561682 0.83 HDAC3 (0.62) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7934469 0.83 POLB (0.77) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1143844 0.81 MEN1 (0.54) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11402386 0.80 PDK1 (0.59) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1509808 0.80 MAPT (0.51) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7936035 0.80 P2RX7 (0.60) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7936658 0.80 KMT2A (0.54) ALDH1A1MAPTMEN1KMT2APOLB

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 ALDH1A1 496/4885MAPT 1781/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885MAPT 2849/4885MEN1 1392/4885

“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.