SCHEMBL20764091

SCHEMBL20764091

N#Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)cc3)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 13/20 0.76
ESR1 P03372 3/20 0.70
ESR2 Q92731 2/20 0.58
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
PTPN11 Q06124 2/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL20764102 0.88 ESRRG (0.72) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764062 0.88 ESRRG (0.80) ESRRGESR1ESR2NPC1RAB9A
SCHEMBL20764003 0.88 ESRRG (0.72) ESRRGESR1ESR2NPC1RAB9A
SCHEMBL20764090 0.86 ESRRG (0.60) ESRRGESR1KDM4ESMN1; SMN2LMNA
SCHEMBL20764004 0.82 ESRRG (1.00) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764016 0.82 ESRRG (1.00) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764244 0.82 ESRRG (1.00) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764089 0.82 ESRRG (1.00) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764056 0.82 ESRRG (1.00) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764242 0.79 ESRRG (0.74) ESRRGESR1ESR2KDM4ESMN1; SMN2

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-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 US disclosed
US-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 US disclosed
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 (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-20200247792-A1 ERR INVERSE AGONISTS ESRRA, ESRRB, ESR2 ESRRG 4/4885ESR1 6/4885ESR2 3/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885ESR1 4/4885ESR2 1/4885

“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.