SCHEMBL20764076

SCHEMBL20764076

O=C(Nc1ccncc1)c1ccc(-c2ccc3ccccc3c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.60
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ PPARG P37231 1/20 0.57
▸ NCOA2 Q15596 1/20 0.57
▸ NCOA1 Q15788 1/20 0.57
▸ NCOA3 Q9Y6Q9 1/20 0.57
▸ ESRRG P62508 5/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51

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
SCHEMBL20764358 0.88 HDAC3 (0.58) SIRT2NPC1RAB9AKDM4EPPARG
SCHEMBL20764070 0.87 SIRT2 (0.63) SIRT2NPC1RAB9AKDM4EPPARG
SCHEMBL20764066 0.86 ESRRG (0.71) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL20764260 0.85 ESRRG (0.68) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL4931342 0.81 NPC1 (0.80) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL20764052 0.81 ESRRG (0.54) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL20764088 0.80 ESRRG (0.76) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL20764074 0.80 PTPN11 (0.59) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL20764061 0.79 NPC1 (0.75) NPC1RAB9AKDM4EPPARGNCOA2
SCHEMBL20764224 0.79 HDAC3 (0.56) NPC1RAB9AKDM4EPPARGNCOA2

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 SIRT2 1725/4885NPC1 1405/4885RAB9A 1566/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG SIRT2 2594/4885NPC1 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.

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