SCHEMBL7933867

SCHEMBL7933867

O=C(CS)Nc1nnc(-c2ccncc2)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.74
ALDH1A1 P00352 7/20 0.74
HPGD P15428 5/20 0.74
HDAC1 Q13547 2/20 0.65
HDAC2 Q92769 2/20 0.65
HSD17B10 Q99714 3/20 0.64
HTT P42858 3/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.62
RCE1 Q9Y256 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
MAPK8 P45983 3/20 0.59
MAPK10 P53779 3/20 0.59
MAPT P10636 2/20 0.57

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
SCHEMBL7929987 0.86 NPC1 (0.63) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL27804582 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL23932897 0.84 KDM4E (0.76) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL7925080 0.84 HDAC1 (0.71) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL7930408 0.84 HDAC1 (0.67) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL13357164 0.81 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL13357176 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL7933652 0.80 SMN1; SMN2 (0.71) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL13357165 0.79 KDM4E (0.67) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL13357690 0.79 KDM4E (0.70) KDM4EALDH1A1HPGDHDAC1HDAC2

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 KDM4E 1274/4885ALDH1A1 496/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KDM4E 1963/4885ALDH1A1 2213/4885HPGD 599/4885

“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.