SCHEMBL20764033

SCHEMBL20764033

O=C(Nc1ccncc1)c1ccc(-c2ccccc2F)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 5/20 0.74
▸ HTT P42858 2/20 0.56
▸ JAK2 O60674 3/20 0.54
▸ TYK2 P29597 3/20 0.54
▸ JAK1 P23458 2/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PPARG P37231 2/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ TP53 P04637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ NR2E3 Q9Y5X4 1/20 0.49

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
SCHEMBL20764054 0.86 ESRRG (0.66) ESRRGHTTNPC1RAB9ASMN1; SMN2
SCHEMBL20764060 0.85 ESRRG (1.00) ESRRGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20764032 0.84 ESRRG (0.79) ESRRGHTTNPC1RAB9ASMN1; SMN2
SCHEMBL20764355 0.84 ESRRG (0.79) ESRRGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22311822 0.82 ESRRG (0.77) ESRRGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20764061 0.78 NPC1 (0.75) ESRRGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4931342 0.78 NPC1 (0.80) ESRRGHTTNPC1RAB9ASMN1; SMN2
SCHEMBL20764088 0.77 ESRRG (0.76) ESRRGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8446243 0.77 LMNA (0.52) ESRRGHTTJAK2TYK2JAK1
SCHEMBL22311795 0.77 ESRRG (1.00) ESRRGNPC1RAB9ASMN1; SMN2KDM4E

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 4/4885HTT 3978/4885JAK2 2366/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885HTT 4798/4885JAK2 3628/4885

“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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