SCHEMBL7932260

SCHEMBL7932260

O=C(CS)Nc1ccc2[nH]c(S)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TERT O14746 4/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
RAB9A P51151 1/20 0.40
TNNC1 P63316 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL7795890 0.89 MEN1 (0.49) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL6608676 0.84 KDM4E (0.55) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL8656540 0.83 SMN1; SMN2 (0.54) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL14160765 0.83 EGFR (0.43) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL13865682 0.83 FABP4 (0.49) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL22424935 0.82 GAA (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7794731 0.82 SPHK2 (0.54) POLBKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL7031470 0.82 SPHK2 (0.54) POLBKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL22425135 0.81 MAPT (0.56) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL14093848 0.80 TERT (0.40) MEN1KMT2AMAPTPOLBL3MBTL1

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