SCHEMBL2562290

SCHEMBL2562290

O=C(O)c1ccc(OC2CCCC2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
PDE4A P27815 11/20 0.57
PDE4B Q07343 11/20 0.57
PDE4D Q08499 11/20 0.57
PDE4C Q08493 10/20 0.57
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL31535540 0.97 KMT2A (0.56) KMT2APDE4APDE4BPDE4DPDE4C
SCHEMBL2543514 0.94 KMT2A (0.51) KMT2APDE4APDE4BPDE4DPDE4C
SCHEMBL2563365 0.85 KMT2A (0.47) KMT2APDE4APDE4BPDE4DPDE4C
SCHEMBL20021947 0.84 PDE4B (0.53) KMT2APDE4APDE4BPDE4DPDE4C
SCHEMBL8156201 0.83 PARP10 (0.58) KMT2APDE4APDE4BPDE4DPDE4C
SCHEMBL17112499 0.81 PDE4D (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL19404309 0.81 UTS2R (0.50)
SCHEMBL29664016 0.81 PDE4D (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL15905013 0.81 PDE4D (0.57) KMT2APDE4APDE4BPDE4DPDE4C
SCHEMBL8504736 0.81 PDE4A (0.57) PDE4APDE4BPDE4DPDE4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-04-05 US disclosed
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 KMT2A 3974/4885PDE4A 1177/4885PDE4B 1439/4885
US-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS BCL9, BCL9L, BCL3 KMT2A 1947/4885PDE4A 4232/4885PDE4B 3680/4885

“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.