SCHEMBL7929897

SCHEMBL7929897

CC(C)(C)c1nnc(NC(=O)CS)s1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.73
CYP1A2 P05177 1/20 0.73
KMT2A Q03164 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
ALDH1A1 P00352 5/20 0.58
POLB P06746 2/20 0.56
PAX8 Q06710 1/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9892899 0.85 SMN1; SMN2 (1.00) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12354954 0.83 POLB (0.68) MEN1CYP1A2KMT2ASMN1; SMN2POLB
SCHEMBL11515168 0.83 MEN1 (0.73) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6375789 0.80 MEN1 (0.68) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11518015 0.80 MEN1 (0.68) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3807415 0.79 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9892978 0.79 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9891528 0.77 KMT2A (0.65) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28676132 0.77 SMN1; SMN2 (0.65) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11188939 0.76 SMN1; SMN2 (0.63) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1

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 3 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

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 938/4885CYP1A2 1547/4885KMT2A 799/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885CYP1A2 927/4885KMT2A 3093/4885

“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.