SCHEMBL5574909

SCHEMBL5574909

COc1cc(OC)c(-c2cccs2)cc1C=C(Br)Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.54
ERN1 O75460 5/20 0.46
RPS6KB2 Q9UBS0 2/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMPD3 Q9NY59 2/20 0.38

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
SCHEMBL5560733 0.81 TNFRSF1A (0.57) TNFRSF1AERN1RPS6KB2MAPTMEN1
SCHEMBL2780877 0.78 RPS6KB2 (0.56) TNFRSF1AERN1RPS6KB2MAPTMEN1
SCHEMBL6091643 0.76 TNFRSF1A (0.59) TNFRSF1AERN1MAPTMEN1KMT2A
SCHEMBL5565309 0.75 ERN1 (0.60) TNFRSF1AERN1RPS6KB2MAPTMEN1
SCHEMBL26259904 0.74 RPS6KB2 (0.56) TNFRSF1AERN1RPS6KB2MAPTMEN1
SCHEMBL6040741 0.73 ERN1 (0.61) TNFRSF1AERN1RPS6KB2KDM4E
SCHEMBL6040725 0.72 ERN1 (0.50) TNFRSF1AERN1RPS6KB2MAPTMEN1
SCHEMBL5571805 0.72 TNFRSF1A (0.74) TNFRSF1A
SCHEMBL5576244 0.72 TNFRSF1A (0.68) TNFRSF1A
SCHEMBL5571808 0.72 TNFRSF1A (0.74) TNFRSF1A

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-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-20030232877-A1 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders CRABTREE ACQUISITION CO, LLC 2003-12-18 US disclosed
WO-2003053359-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPYN-1-ONES AND THEIR USE TO TREAT DISORDERS ATHEROGENICS, INC. (US) 2003-07-03 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 (1 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-20030232877-A1 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders SLC10A1, PKD1, ABCB11 TNFRSF1A 4867/4885ERN1 2413/4885RPS6KB2 1072/4885

“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.