SCHEMBL2175372

SCHEMBL2175372

CC(Oc1ccc(C=C2SC(=O)NC2=O)cc1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.66
GSK3B P49841 1/20 0.55
MAPT P10636 2/20 0.55
MCL1 Q07820 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GFER P55789 1/20 0.55
ESRRA P11474 4/20 0.53
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
PDE4B Q07343 1/20 0.51

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
SCHEMBL2786056 1.00 HPGD (0.66) HPGDGSK3BMAPTMCL1NPSR1
SCHEMBL2786377 0.83 HPGD (0.68) HPGDPDE4B
SCHEMBL2172862 0.83 HPGD (0.68) HPGDPDE4B
SCHEMBL2174556 0.83 PDE4B (0.68) HPGDGSK3BMEN1KMT2APDE4B
SCHEMBL1300609 0.83 HPGD (0.67) HPGDGSK3BMAPTMCL1NPSR1
SCHEMBL1300607 0.83 HPGD (0.67) HPGDGSK3BMAPTMCL1NPSR1
SCHEMBL2785872 0.81 HPGD (0.69) HPGDPDE4B
SCHEMBL2171889 0.81 HPGD (0.66) HPGDESRRAPDE4B
SCHEMBL2788741 0.81 HPGD (0.66) HPGDESRRAPDE4B
SCHEMBL2171408 0.81 HPGD (0.69) HPGDPDE4B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 EP claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US claimed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 WO claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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 (1 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 HPGD 183/4885GSK3B 1770/4885MAPT 4264/4885

“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.