SCHEMBL3583408

SCHEMBL3583408

CCOC(CN(C(=O)CCOCCc1ccccc1)c1ccccc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MLYCD O95822 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.38
OPRM1 P35372 3/20 0.37
ALOX5 P09917 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3587698 0.83 MEN1 (0.43) ALDH1A1ALOX5MEN1KMT2A
SCHEMBL3585787 0.83 LMNA (0.46) ALDH1A1ALOX5TSHRMEN1KMT2A
SCHEMBL3585940 0.79 ADRB2 (0.43) ALOX5TSHR
SCHEMBL3589737 0.78 ADRB2 (0.39) LTB4R2ALOX5MEN1KMT2A
SCHEMBL3581733 0.77 MEN1 (0.45) ALOX5MEN1KMT2A
SCHEMBL3591454 0.77 ALOX5 (0.40) TP53SMN1; SMN2ALDH1A1HPGDMLYCD
SCHEMBL4874740 0.76 ALDH1A1 (0.45) TP53SMN1; SMN2ALDH1A1HPGDOPRM1
SCHEMBL3578370 0.76 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4865282 0.74 SMN1; SMN2 (0.43) TP53SMN1; SMN2ALDH1A1MLYCDOPRM1
SCHEMBL4874004 0.74 ALDH1A1 (0.42) TP53SMN1; SMN2ALDH1A1HPGDOPRM1

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 TP53 1486/4885SMN1; SMN2 2508/4885ALDH1A1 233/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TP53 1486/4885SMN1; SMN2 2508/4885ALDH1A1 233/4885

“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.