SCHEMBL2830971

SCHEMBL2830971

O=C(NN=Cc1ccc2ccccc2c1)c1ccc(O)c(O)c1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.90
ESRRG P62508 2/20 0.76
ESR1 P03372 1/20 0.76
ESR2 Q92731 1/20 0.76
ECE2 P0DPD6 1/20 0.67
ECE1 P42892 1/20 0.67
MUS81 Q96NY9 1/20 0.67
IKBKB O14920 1/20 0.61
NTRK1 P04629 1/20 0.60
GCGR P47871 1/20 0.60
RRM1 P23921 1/20 0.58
MGAM O43451 2/20 0.58
GAA P10253 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
SPHK2 Q9NRA0 2/20 0.56
SPHK1 Q9NYA1 2/20 0.56

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
SCHEMBL13475421 1.00 DNM1 (0.90) DNM1ESRRGESR1ESR2ECE2
SCHEMBL2830968 1.00 DNM1 (0.90) DNM1ESRRGESR1ESR2ECE2
SCHEMBL13569020 0.89 ESR1 (0.89) DNM1ESRRGESR1ESR2ECE2
SCHEMBL23327645 0.88 ESR1 (0.74) DNM1ESRRGESR1ESR2ECE2
SCHEMBL21211524 0.88 ESR1 (0.74) DNM1ESRRGESR1ESR2ECE2
SCHEMBL12937827 0.86 ESRRG (1.00) DNM1ESRRGESR1ESR2IKBKB
SCHEMBL13186578 0.86 ESRRG (0.79) DNM1ESRRGNTRK1GCGRGAA
SCHEMBL2663644 0.86 GCGR (0.74) DNM1ESRRGESR1ESR2GCGR
SCHEMBL13568983 0.85 ESR1 (0.82) DNM1ESRRGESR1ESR2IKBKB
SCHEMBL30513741 0.85 ESRRG (0.82) DNM1ESRRGESR1ESR2IKBKB

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-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-02-04 US disclosed
EP-1751553-B1 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT UNIV MUENCHEN L MAXIMILIANS (DE) 2008-10-08 EP disclosed
EP-1751553-A2 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT Ludwig-Maximilians-Universität München (DE) 2007-02-14 EP disclosed
WO-2005116640-A2 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT LUDWIG-MAXIMILIANS- UNIVERSITÄT MÜNCHEN (DE) 2005-12-08 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 (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-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) PRNP, MAPT, HTT DNM1 1319/4885ESRRG 4413/4885ESR1 4699/4885

“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.