SCHEMBL3585940

SCHEMBL3585940

CCOC(CN(CCCCCOCCc1ccccc1)C(=O)CCOCCc1ccccc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.43
ALOX5 P09917 2/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.91 MEN1 (0.43) ADRB2ALOX5NPC1LMNA
SCHEMBL3585787 0.86 LMNA (0.46) ADRB2ALOX5NPC1LMNAALOX15
SCHEMBL3589737 0.85 ADRB2 (0.39) ADRB2ALOX5NPC1
SCHEMBL7118047 0.83 CCR6 (0.46)
SCHEMBL3581733 0.81 MEN1 (0.45) ADRB2ALOX5NPC1
SCHEMBL3585614 0.79 ADRB2 (0.46) ADRB2ALOX5
SCHEMBL3583408 0.79 TP53 (0.43) ALOX5TSHR
SCHEMBL3578370 0.79 ALDH1A1 (0.45) LMNA
SCHEMBL2546820 0.77 CYP3A4 (0.54) ALOX5NPC1LMNAMAPK1
SCHEMBL7116977 0.77 KCNH2 (0.47)

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 ADRB2 156/4885ALOX5 4097/4885NPC1 1697/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885ALOX5 4097/4885NPC1 1697/4885

“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.