SCHEMBL20764059

SCHEMBL20764059

CC(C)Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.57
▸ 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
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ TP53 P04637 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PTBP1 P26599 1/20 0.50
▸ HTT P42858 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
SCHEMBL20764051 0.86 TP53 (0.55) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20764221 0.85 NPC1 (0.64) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20764075 0.84 SMN1; SMN2 (0.56) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL23091265 0.82 HDAC3 (0.74) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30501748 0.82 HDAC3 (0.74) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20764073 0.82 NPC1 (0.72) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20764046 0.81 ESRRG (0.69) RAB9ATP53NPC1SMN1; SMN2LMNA
SCHEMBL20764072 0.80 HDAC3 (0.54) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20764041 0.80 ESRRG (0.67) RAB9ATP53NPC1SMN1; SMN2LMNA
SCHEMBL20764031 0.79 HDAC3 (0.54) RAB9AHDAC3HDAC4HDAC1HDAC7

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 RAB9A 1566/4885HDAC3 2590/4885HDAC4 3618/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG RAB9A 3045/4885HDAC3 2885/4885HDAC4 2858/4885

“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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