SCHEMBL20764262

SCHEMBL20764262

O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.78
ACKR3 P25106 7/20 0.62
TP53 P04637 3/20 0.55
MDM2 Q00987 3/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
DYRK1A Q13627 3/20 0.54
DYRK1B Q9Y463 2/20 0.54
ESR1 P03372 1/20 0.53
IKBKB O14920 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
PLK4 O00444 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
SCHEMBL20764022 0.88 ESRRG (1.00) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL20764251 0.86 ESRRG (0.73) ESRRGACKR3TP53HDAC1HDAC3
SCHEMBL4930312 0.84 ESRRG (0.74) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL1886942 0.83 ESRRG (0.72) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL20764019 0.82 ESRRG (0.79) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL20764216 0.81 ESRRG (0.69) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL31687485 0.79 ACKR3 (0.67) ESRRGACKR3HDAC1DYRK1ADYRK1B
SCHEMBL4932331 0.79 DYRK1A (0.59) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL12057090 0.78 ESRRG (0.65) ESRRGACKR3TP53HDAC1DYRK1A
SCHEMBL25910317 0.78 ESRRG (0.65) ESRRGACKR3TP53HDAC1HDAC3

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 5 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
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 4/4885ACKR3 195/4885TP53 2879/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885ACKR3 454/4885TP53 3812/4885

“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.