SCHEMBL20764258

SCHEMBL20764258

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(F)c2)s1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 14/20 0.80
MAPT P10636 2/20 0.69
TP53 P04637 1/20 0.69
CNR1 P21554 1/20 0.69
ESR1 P03372 6/20 0.67
ESR2 Q92731 3/20 0.65
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PPARG P37231 1/20 0.60
NCOA2 Q15596 1/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
PRSS12 P56730 1/20 0.60
PTPN2 P17706 1/20 0.60
PTPN11 Q06124 1/20 0.60

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
SCHEMBL20764079 0.89 ESRRG (1.00) ESRRGMAPTTP53ESR1ESR2
SCHEMBL20764078 0.89 ESRRG (0.79) ESRRGMAPTTP53ESR1ESR2
SCHEMBL20764080 0.87 ESRRG (0.78) ESRRGMAPTCNR1ESR1ESR2
SCHEMBL22311794 0.86 ESRRG (0.80) ESRRGMAPTTP53ESR1ESR2
SCHEMBL20764027 0.86 ESRRG (1.00) ESRRGESR1ESR2NPC1RAB9A
SCHEMBL20764064 0.85 ESRRG (0.72) ESRRGMAPTTP53ESR1ESR2
SCHEMBL20764088 0.85 ESRRG (0.76) ESRRGMAPTTP53ESR1ESR2
SCHEMBL20764010 0.82 ESRRG (0.91) ESRRGMAPTTP53ESR1ESR2
SCHEMBL20764067 0.82 ESRRG (0.71) ESRRGMAPTTP53CNR1ESR1
SCHEMBL29615094 0.81 CNR1 (1.00) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247792-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-08-06 US disclosed
WO-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 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-20200247792-A1 ERR INVERSE AGONISTS ESRRA, ESRRB, ESR2 ESRRG 4/4885MAPT 3634/4885TP53 2879/4885

“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.