SCHEMBL20764054

SCHEMBL20764054

O=C(Nc1cccnc1)c1ccc(-c2ccccc2F)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 3/20 0.66
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ PTBP1 P26599 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ CYP11B1 P15538 3/20 0.51
▸ CYP11B2 P19099 3/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50

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
SCHEMBL20764033 0.86 ESRRG (0.74) ESRRGALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL23091265 0.82 HDAC3 (0.74) ESRRGLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30501748 0.82 HDAC3 (0.74) ESRRGLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL20764073 0.81 NPC1 (0.72) ESRRGLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28132033 0.81 L3MBTL1 (0.72) LMNAL3MBTL1ALDH1A1SMN1; SMN2PTBP1
SCHEMBL20764060 0.80 ESRRG (1.00) ESRRGSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20764087 0.79 MAPT (0.68) ESRRGSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20764032 0.79 ESRRG (0.79) ESRRGLMNASMN1; SMN2HTTMEN1
SCHEMBL20764355 0.79 ESRRG (0.79) ESRRGSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL23091256 0.78 NPC1 (0.76) ESRRGLMNAL3MBTL1ALDH1A1SMN1; 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 4/4885LMNA 4539/4885L3MBTL1 3689/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885LMNA 4527/4885L3MBTL1 4687/4885

“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.

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