SCHEMBL7924722

SCHEMBL7924722

O=C(CS)Nc1ccc(O)c2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
IDO1 P14902 2/20 0.57
MMP2 P08253 5/20 0.57
PDE4D Q08499 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
KDM6B O15054 1/20 0.50
KDM6A O15550 1/20 0.50
TET3 O43151 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5C P41229 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
TET2 Q6N021 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
TET1 Q8NFU7 1/20 0.50
FTO Q9C0B1 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
KDM3A Q9Y4C1 1/20 0.50

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
SCHEMBL7032474 0.81 IDO1 (0.61) KDM4EIDO1MMP2PDE4DL3MBTL1
SCHEMBL6030652 0.77 ALDH1A1 (0.74) KDM4EL3MBTL1RAB9ALMNAHTT
SCHEMBL13656141 0.76 IDO1 (0.59) KDM4EIDO1MMP2PDE4DL3MBTL1
SCHEMBL24081122 0.75 IDO1 (0.66) KDM4EIDO1MMP2L3MBTL1KDM6B
SCHEMBL4025039 0.75 TDP1 (0.73) KDM4ELMNAHTTSMN1; SMN2GAA
SCHEMBL12835259 0.74 TDP1 (0.56) KDM4EIDO1MMP2PDE4DL3MBTL1
SCHEMBL1133560 0.74 KDM4E (0.54) KDM4EIDO1MMP2PDE4DL3MBTL1
SCHEMBL16525559 0.74 PDE4D (0.66) KDM4EIDO1PDE4DL3MBTL1NPC1
SCHEMBL14130573 0.73 IDO1 (0.64) KDM4EIDO1MMP2L3MBTL1KDM6B
SCHEMBL22705016 0.73 IDO1 (0.64) KDM4EIDO1MMP2L3MBTL1KDM6B

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 1274/4885IDO1 616/4885MMP2 15/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KDM4E 1963/4885IDO1 555/4885MMP2 17/4885

“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.