SCHEMBL7929918

SCHEMBL7929918

O=C(CS)Nc1cccc2c(=O)[nH][nH]c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
CASP6 P55212 1/20 0.52
PTPN11 Q06124 1/20 0.52
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR35 Q9HC97 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL2231079 0.86 KDM4E (0.57) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2521606 0.86 SMN1; SMN2 (0.53) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2523027 0.86 KDM4E (0.53) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2353928 0.81 KDM4E (0.58) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL11729407 0.81 KDM4E (0.49) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2228797 0.80 KDM4E (0.61) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL27819764 0.79 EP300 (0.55) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL11739119 0.79 KMT2A (0.47) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2229397 0.78 KDM4E (0.55) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2229180 0.75 ALDH1A1 (0.57) KDM4EPOLBMEN1KMT2ARAB9A

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 1274/4885POLB 1320/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KDM4E 1963/4885POLB 3799/4885MEN1 1392/4885

“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.