SCHEMBL12567166

SCHEMBL12567166

CC(C)(C)OC(=O)Nc1ccc2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.43
LCK P06239 4/20 0.43
RAB9A P51151 2/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 2/20 0.40
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
AURKB Q96GD4 1/20 0.39
AAK1 Q2M2I8 4/20 0.38
BCL2 P10415 1/20 0.38
MTOR P42345 1/20 0.38
MAP4K4 O95819 1/20 0.38
HDAC1 Q13547 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
SCHEMBL23535706 0.83 TDP1 (0.43) LCKRAB9AGSK3BDYRK1ANPC1
SCHEMBL31504571 0.83 TDP1 (0.43) LCKRAB9AGSK3BDYRK1ANPC1
SCHEMBL20047089 0.82 SORT1 (0.46) SORT1RAB9ADYRK1ANPC1SMN1; SMN2
SCHEMBL21185725 0.82 NPC1 (0.42) LCKRAB9AGSK3BDYRK1ANPC1
SCHEMBL23559704 0.82 HTT (0.49) LCKRAB9AGSK3BDYRK1ANPC1
SCHEMBL28707724 0.82 KDM4E (0.43) LCKRAB9AGSK3BDYRK1ANPC1
SCHEMBL21185880 0.81 SCN9A (0.45) LCKGSK3BDYRK1A
SCHEMBL20227778 0.80 ABL1 (0.59) RAB9AGSK3BDYRK1ANPC1AAK1
SCHEMBL29650022 0.80 GSK3B (0.61) LCKRAB9AGSK3BDYRK1ANPC1
SCHEMBL4302469 0.80 GSK3B (0.61) LCKRAB9AGSK3BDYRK1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 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 (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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 SORT1 4857/4885LCK 1072/4885RAB9A 2682/4885

“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.