SCHEMBL3070123

SCHEMBL3070123

Cc1cn(CCCCBr)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CNR2 P34972 9/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
TERT O14746 1/20 0.44
CNR1 P21554 5/20 0.43
CDC25A P30304 1/20 0.43
ICMT O60725 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
SCHEMBL11623169 0.88 MEN1 (0.51) MEN1KMT2ACNR2HDAC1HDAC2
SCHEMBL7712112 0.85 CNR2 (0.59) CNR2CNR1CDC25AICMT
SCHEMBL8363931 0.83 CDC25A (0.59) CNR2CNR1CDC25AICMT
SCHEMBL14947367 0.83 CDC25A (0.59) CNR2CNR1CDC25AICMT
SCHEMBL12206640 0.83 CNR2 (0.54) MEN1KMT2ACNR2CNR1CDC25A
SCHEMBL3078397 0.81 CDC25A (0.57) CNR2CNR1CDC25AICMT
SCHEMBL20221429 0.79 MEN1 (0.53) MEN1KMT2ACNR2HDAC1HDAC2
SCHEMBL8612793 0.79 CNR2 (0.56) MEN1KMT2ACNR2CNR1
SCHEMBL90184 0.79 CNR2 (0.56) MEN1KMT2ACNR2HDAC1HDAC2
SCHEMBL20054193 0.77 MEN1 (0.51) MEN1KMT2ACNR2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885CNR2 1456/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885CNR2 1456/4885

“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.