SCHEMBL3449455

SCHEMBL3449455

O=C(O)C1CCCN(c2cccc(Br)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 0.60
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SERPINE1 P05121 1/20 0.45

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
SCHEMBL13420777 0.92 NOTUM (0.72) NOTUM
SCHEMBL17026816 0.85 NOTUM (0.54) NOTUMMEN1ALDH1A1KMT2A
SCHEMBL3452628 0.84 NOTUM (0.45) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4961935 0.84 NOTUM (0.81) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL613112 0.84 NOTUM (0.81) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23752745 0.83 NOTUM (0.84) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23752747 0.83 NOTUM (0.84) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL5799563 0.82 NOTUM (0.58) NOTUMKDM4EHSD17B10
SCHEMBL14507442 0.82 NOTUM (0.59) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL28332852 0.80 NOTUM (0.85) NOTUMKDM4EMEN1ALDH1A1KMT2A

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NOTUM 831/4885KDM4E 3882/4885MEN1 859/4885

“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.