SCHEMBL869455

SCHEMBL869455

O=C(Cc1cc(F)ccc1F)N1CCc2cc(Br)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 7/20 0.55
NOTUM Q6P988 1/20 0.50
ABHD6 Q9BV23 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 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
SCHEMBL16156132 0.86 EIF2AK3 (0.58) EIF2AK3NOTUMPIK3CDPIK3CBCYP3A4
SCHEMBL13861216 0.78 EIF2AK3 (0.61) EIF2AK3NOTUMMAPTRAB9A
SCHEMBL868522 0.78 ROCK1 (0.50) EIF2AK3NOTUMPIK3CDPIK3CBCYP3A4
SCHEMBL870320 0.76 ALDH1A1 (0.70) EIF2AK3NOTUMABHD6NPC1MAPT
SCHEMBL19687695 0.75 CYP11B1 (0.56) ABHD6MAPTSMN1; SMN2TUBB4ATUBB
SCHEMBL18763042 0.75 SLC22A12 (0.58) NOTUMABHD6NPC1MAPTRAB9A
SCHEMBL16156135 0.72 EIF2AK3 (1.00) EIF2AK3
SCHEMBL16655863 0.72 EIF2AK3 (0.61) EIF2AK3NPC1MAPTRAB9A
SCHEMBL868181 0.72 EIF2AK3 (0.66) EIF2AK3CYP3A4
SCHEMBL27975806 0.72 EIF2AK3 (0.74) EIF2AK3

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
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
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP 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 EIF2AK3 16/4885NOTUM 2790/4885ABHD6 3493/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885NOTUM 2790/4885ABHD6 3493/4885

“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.