SCHEMBL3585178

SCHEMBL3585178

O=CCN(CCc1ccccc1)C(=O)CCOCCc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 2/20 0.41
ALOX5 P09917 2/20 0.41
ADRB2 P07550 5/20 0.41
HDAC3 O15379 1/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3588896 0.93 MEN1 (0.47) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL3585614 0.83 ADRB2 (0.46) ALOX5ADRB2HDAC1
SCHEMBL3587959 0.83 ALOX5 (0.44) KMT2AMEN1NPC1RAB9AALOX5
SCHEMBL3590880 0.82 ADRB2 (0.54) ALOX5ADRB2
SCHEMBL3598759 0.82 MEN1 (0.49) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL3589737 0.80 ADRB2 (0.39) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL4216337 0.76 KMT2A (0.50) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL3591454 0.75 ALOX5 (0.40) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL3584233 0.75 PKM (0.48) KMT2AHDAC3HDAC1HDAC6
SCHEMBL19294596 0.72 FFAR1 (0.55) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 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 (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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 PDPK1 3942/4885KMT2A 813/4885TDP1 2812/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 PDPK1 3942/4885KMT2A 813/4885TDP1 2812/4885

“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.