SCHEMBL3344400

SCHEMBL3344400

O=[N+]([O-])c1cc(Nc2ncc(Br)c(O)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GSK3B P49841 2/20 0.43
AURKA O14965 1/20 0.43
GSK3A P49840 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 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
SCHEMBL3350815 0.86 STK17A (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3451191 0.83 ULK1 (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL656938 0.80 AURKA (0.57) MEN1KMT2AMAPTABCG2GSK3B
SCHEMBL30948594 0.79 ABCG2 (0.46) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13310349 0.79 MAPK1 (0.54) CA1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3348485 0.79 SMN1; SMN2 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL655435 0.75 NPC1 (0.55) MEN1KMT2ALMNAMAPTABCG2
SCHEMBL3345413 0.73 SYK (0.57) GSK3BAURKASYKSTK17A
SCHEMBL30948587 0.72 CDK1 (0.41) MEN1KMT2AMAPTABCG2GSK3B
SCHEMBL3858988 0.71 ABL1 (0.67)

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
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
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 MEN1 859/4885KMT2A 4408/4885LMNA 1717/4885

“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.