SCHEMBL3585787

SCHEMBL3585787

CCOC(CN(Cc1ccccc1)C(=O)CCOCCc1ccccc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ABCB1 P08183 2/20 0.43
RAB9A P51151 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX5 P09917 2/20 0.41
ADRB2 P07550 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3587698 0.90 MEN1 (0.43) LMNANPC1ALDH1A1RAB9AKMT2A
SCHEMBL3578370 0.89 ALDH1A1 (0.45) LMNAALDH1A1KMT2AHTT
SCHEMBL3585940 0.86 ADRB2 (0.43) LMNANPC1ALOX15TSHRMAPK1
SCHEMBL3589737 0.84 ADRB2 (0.39) NPC1RAB9AKMT2AMEN1ALOX5
SCHEMBL2546766 0.83 LMNA (0.48) LMNANPC1ALOX15TSHRMAPK1
SCHEMBL3583408 0.83 TP53 (0.43) TSHRALDH1A1KMT2AMEN1ALOX5
SCHEMBL3581733 0.82 MEN1 (0.45) NPC1RAB9AKMT2AMEN1ALOX5
SCHEMBL3587959 0.77 ALOX5 (0.44) LMNANPC1ALOX15TSHRMAPK1
SCHEMBL2546820 0.76 CYP3A4 (0.54) LMNANPC1MAPK1ALDH1A1RAB9A
SCHEMBL289414 0.74 ALDH1A1 (0.46) LMNANPC1ALOX15TSHRMAPK1

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 LMNA 1261/4885NPC1 1697/4885ALOX15 4247/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 LMNA 1261/4885NPC1 1697/4885ALOX15 4247/4885

“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.