SCHEMBL869113

SCHEMBL869113

Cc1cccc(CC(=O)N2CCc3cc(Br)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.54
EIF2AK3 Q9NZJ5 1/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
NOTUM Q6P988 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46

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
SCHEMBL870320 0.86 ALDH1A1 (0.70) EIF2AK3ALDH1A1POLBNOTUMCYP11B1
SCHEMBL869066 0.83 RIPK1 (0.55) RIPK1EIF2AK3ALDH1A1NOTUMCYP11B1
SCHEMBL4630914 0.80 ALDH1A1 (0.72) RIPK1ALDH1A1POLBNOTUMLMNA
SCHEMBL870385 0.79 RIPK1 (0.48) RIPK1EIF2AK3ALDH1A1POLBNOTUM
SCHEMBL13861268 0.79 RIPK1 (0.61) RIPK1EIF2AK3CYP11B1CYP11B2
SCHEMBL19687695 0.78 CYP11B1 (0.56) ALDH1A1POLBCYP11B1CYP11B2TSHR
SCHEMBL13861253 0.78 RIPK1 (0.56) RIPK1EIF2AK3CYP11B1CYP11B2
SCHEMBL13861241 0.76 RIPK1 (0.56) RIPK1EIF2AK3CYP11B1CYP11B2
SCHEMBL18763042 0.75 SLC22A12 (0.58) ALDH1A1POLBNOTUMLMNATSHR
SCHEMBL15703719 0.75 DRD2 (0.60) EIF2AK3ALDH1A1POLBNOTUMTSHR

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
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885EIF2AK3 16/4885ALDH1A1 1192/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885EIF2AK3 16/4885ALDH1A1 1192/4885

“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.