SCHEMBL8738064

SCHEMBL8738064

CSC(=S)NN=C(c1ccccn1)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 3/20 0.55
HSP90AA1 P07900 2/20 0.51
HKDC1 Q2TB90 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
OPRK1 P41145 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TOP2A P11388 2/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
CCR6 P51684 1/20 0.45

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
SCHEMBL29852200 1.00 CTH (0.55) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL7086491 0.91 AGTR1 (0.62) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL7086789 0.91 AGTR1 (0.62) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL7086790 0.91 AGTR1 (0.62) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL5522739 0.86 HKDC1 (0.67) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL5522740 0.86 HKDC1 (0.67) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL30816738 0.86 HKDC1 (0.67) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL12955842 0.82 TOP2A (0.56) HSP90AA1HKDC1ALDH1A1KDM4EOPRK1
SCHEMBL31690659 0.82 TOP2A (0.59) HSP90AA1HKDC1ALDH1A1KDM4EKMT2A
SCHEMBL1024423 0.79 TOP2A (0.75) HSP90AA1HKDC1ALDH1A1KDM4ELMNA

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-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US 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-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR CTH 1128/4885HSP90AA1 401/4885HKDC1 1383/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR CTH 1128/4885HSP90AA1 401/4885HKDC1 1383/4885

“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.