SCHEMBL20764005

SCHEMBL20764005

O=C(Nc1ccc(F)cc1)c1ccc(-c2cccnc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
ESRRG P62508 7/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
MAPT P10636 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PTPN2 P17706 1/20 0.64

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
SCHEMBL20764073 0.89 NPC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23091256 0.88 NPC1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30501748 0.87 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23091265 0.87 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20764087 0.83 MAPT (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20764061 0.83 NPC1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5903988 0.81 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20764002 0.80 ESRRG (1.00) ESRRGNPC1RAB9AMAPTKDM4E
SCHEMBL20764244 0.79 ESRRG (1.00) ESRRGNPC1RAB9AMAPTKDM4E
SCHEMBL20764089 0.79 ESRRG (1.00) ESRRGNPC1RAB9AMAPTKDM4E

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 3 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-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 HDAC3 2590/4885HDAC4 3618/4885HDAC1 4434/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG HDAC3 2885/4885HDAC4 2858/4885HDAC1 4092/4885

“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.