SCHEMBL20764032

SCHEMBL20764032

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2F)s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 8/20 0.79
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ PPARG P37231 2/20 0.62
▸ NR2E3 Q9Y5X4 1/20 0.62
▸ NCOR2 Q9Y618 1/20 0.62
▸ ESR1 P03372 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ PRSS12 P56730 1/20 0.51
▸ CNR1 P21554 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ PTPN2 P17706 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
SCHEMBL20764060 0.88 ESRRG (1.00) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL20764355 0.87 ESRRG (0.79) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL31337407 0.85 ESRRG (0.64) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL22311822 0.85 ESRRG (0.77) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL20764033 0.84 ESRRG (0.74) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL29838558 0.81 ESRRG (0.59) ESRRGESR1SMN1; SMN2PRSS12TP53
SCHEMBL20764054 0.79 ESRRG (0.66) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL20764080 0.78 ESRRG (0.78) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL20764258 0.77 ESRRG (0.80) ESRRGNPC1RAB9AKDM4EPPARG
SCHEMBL22311795 0.77 ESRRG (1.00) ESRRGNPC1RAB9AKDM4EPPARG

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 4/4885NPC1 1405/4885RAB9A 1566/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885NPC1 2390/4885RAB9A 3045/4885

“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.

Send feedback