SCHEMBL6680992

SCHEMBL6680992

O=C(Nc1cccc(F)c1)c1ccc(Br)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.67
▸ TP53 P04637 2/20 0.67
▸ ESRRG P62508 10/20 0.64
▸ ESR1 P03372 5/20 0.61
▸ ESR2 Q92731 3/20 0.61
▸ USP2 O75604 1/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NFKB1 P19838 3/20 0.56
▸ NFKB2 Q00653 3/20 0.56
▸ RELA Q04206 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ HPGD P15428 2/20 0.55

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
SCHEMBL31337210 0.82 ESR1 (0.64) MAPTTP53ESRRGESR1ESR2
SCHEMBL13202371 0.82 MAPT (0.59) MAPTTP53USP2NPC1RAB9A
SCHEMBL1199911 0.81 NPC1 (0.63) MAPTTP53ESRRGESR1USP2
SCHEMBL24670571 0.79 KMT2A (0.59) MAPTTP53USP2NPC1RAB9A
SCHEMBL29803551 0.79 KMT2A (0.59) MAPTTP53USP2NPC1RAB9A
SCHEMBL12496728 0.79 RAB9A (0.67) MAPTTP53NPC1RAB9AMEN1
SCHEMBL20746251 0.78 ESRRG (1.00) MAPTTP53ESRRGESR1ESR2
SCHEMBL20746117 0.77 HPGD (0.52) MAPTTP53ESRRGESR1ESR2
SCHEMBL2727860 0.77 NPC1 (0.52) TP53ESR1NPC1RAB9AMEN1
SCHEMBL20764078 0.77 ESRRG (0.79) MAPTTP53ESRRGESR1ESR2

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 11 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
WO-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 — — WO disclosed
US-6831068-B2 Containing a 10,13-dioxa-15,18-diazatricyclo(10.6.2.015,20)-icos-1(18)- en-5-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside group ABBOTT LABORATORIES 2004-12-14 — — US disclosed
EP-1474431-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2004-11-10 — — EP disclosed
US-20040009931-A1 Macrolide antibacterial compounds ABBVIE INC. 2004-01-15 — — US disclosed
US-20030171308-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2003-09-11 — — US disclosed
WO-2003068790-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-08-21 — — 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 (4 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 MAPT 3634/4885TP53 2879/4885ESRRG 4/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG MAPT 4038/4885TP53 3812/4885ESRRG 3/4885
US-20040009931-A1 Macrolide antibacterial compounds MRPL21, RPN1, CASP1 MAPT 4610/4885TP53 4596/4885ESRRG 3406/4885
US-20030171308-A1 Macrolide antibacterial compounds RPN1, MRPL21, CASP1 MAPT 4628/4885TP53 4613/4885ESRRG 3467/4885

“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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