SCHEMBL7931375

SCHEMBL7931375

COc1ccc(Cl)cc1NC(=O)CS

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.80
MEN1 O00255 4/20 0.80
ALDH1A1 P00352 7/20 0.74
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 3/20 0.65
LMNA P02545 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL2011023 0.89 MEN1 (1.00) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
Isonicotinic Acid SCHEMBL28110869 0.87 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL14192656 0.86 KMT2A (0.82) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL12300221 0.86 MEN1 (0.82) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL9468747 0.86 KMT2A (0.82) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL8824794 0.85 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL13329336 0.85 KMT2A (0.80) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL10604241 0.85 MEN1 (0.80) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL2374142 0.85 MEN1 (0.80) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL30662094 0.84 MEN1 (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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 7 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
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US 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 (4 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 KMT2A 3236/4885MEN1 3147/4885ALDH1A1 3706/4885
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
US-20080090891-A1 ION CHANNEL MODULATORS CACNA1B, CACNA1C, TRPV1 KMT2A 3236/4885MEN1 3147/4885ALDH1A1 3706/4885

“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.