SCHEMBL3587698

SCHEMBL3587698

CCOC(CN(CCc1ccccc1)C(=O)CCOCCc1ccccc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 4/20 0.42
ADRB2 P07550 7/20 0.42
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL3589737 0.93 ADRB2 (0.39) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL3585940 0.91 ADRB2 (0.43) NPC1ALOX5ADRB2LMNA
SCHEMBL3585787 0.90 LMNA (0.46) MEN1NPC1RAB9AKMT2AALOX5
SCHEMBL3581733 0.89 MEN1 (0.45) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL2546820 0.86 CYP3A4 (0.54) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL3583408 0.83 TP53 (0.43) MEN1KMT2AALOX5ALDH1A1
SCHEMBL3578370 0.82 ALDH1A1 (0.45) KMT2ACYP3A4CYP2C9ALDH1A1LMNA
SCHEMBL16728216 0.78 MEN1 (0.44) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL16728215 0.78 MEN1 (0.44) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL3588896 0.77 MEN1 (0.47) MEN1NPC1RAB9AKMT2ATDP1

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-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-20090203753-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-08-13 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 (3 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 MEN1 3338/4885NPC1 1697/4885RAB9A 1073/4885
US-20090203753-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA1D MEN1 2157/4885NPC1 2956/4885RAB9A 2662/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 MEN1 3338/4885NPC1 1697/4885RAB9A 1073/4885

“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.