SCHEMBL1613614

SCHEMBL1613614

O=C(NC1CC1)c1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.64
SMYD3 Q9H7B4 2/20 0.63
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PYGL P06737 1/20 0.54
PYGM P11217 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FLT3 P36888 1/20 0.52
RAB9A P51151 1/20 0.52
BCAT1 P54687 1/20 0.52

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
SCHEMBL20534668 0.89 DRD4 (0.58) MLLT1SMYD3MEN1KMT2ARAB9A
SCHEMBL3608213 0.87 MLLT1 (0.53) MLLT1SMYD3HDAC3HDAC1HDAC2
SCHEMBL3607417 0.87 MLLT1 (0.53) MLLT1SMYD3HDAC3HDAC1HDAC2
SCHEMBL3607418 0.87 MLLT1 (0.53) MLLT1SMYD3HDAC3HDAC1HDAC2
SCHEMBL3603886 0.84 HRH4 (0.56) MLLT1SMYD3HDAC3HDAC1HDAC2
SCHEMBL3603891 0.84 HRH4 (0.56) MLLT1SMYD3HDAC3HDAC1HDAC2
SCHEMBL3613025 0.84 HRH4 (0.56) MLLT1SMYD3HDAC3HDAC1HDAC2
SCHEMBL29176327 0.83 MLLT1 (0.61) MLLT1SMYD3HDAC1HDAC6RAB9A
SCHEMBL20535296 0.83 MLLT1 (0.57) MLLT1SMYD3HDAC1HDAC6MEN1
SCHEMBL1156082 0.83 SMYD3 (0.67) MLLT1SMYD3HDAC2FLT3HRH4

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
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 MLLT1 1461/4885SMYD3 2756/4885HDAC3 737/4885

“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.