SCHEMBL1844674

SCHEMBL1844674

CNCCNCCNCc1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
CYP2C19 P33261 1/20 0.38
KDM1A O60341 2/20 0.37
MAOB P27338 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.35
FDPS P14324 1/20 0.34
DRD4 P21917 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
PTGS2 P35354 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31

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
SCHEMBL1843939 0.88 ADRB2 (0.39) ADRB2CYP2C19KDM1AMAOBTRPM5
SCHEMBL27635623 0.82 CYP2C19 (0.38) ADRB2CYP2C19KDM1AMAOBTRPM5
SCHEMBL1841133 0.82 CYP2C19 (0.38) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL27377535 0.81 SMN1; SMN2 (0.42) ADRB2CYP2C19KDM1AMAOBTRPM5
SCHEMBL1844671 0.81 CYP2C19 (0.35) ADRB2CYP2C19KDM1AMAOBTRPM5
SCHEMBL178402 0.81
SCHEMBL2311217 0.80 CYP2C19 (0.46) ADRB2CYP2C19KDM1AMAOBTRPM5
SCHEMBL3281612 0.80 CYP2C19 (0.39) ADRB2CYP2C19KDM1AMAOBTRPM5
Hydrochloric Acid SCHEMBL4346321 0.80 SMN1; SMN2 (0.41) ADRB2CYP2C19KDM1AMAOBTRPM5
Hydrochloric Acid SCHEMBL28187462 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529053-B1 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON SPA (IT) 2011-05-18 EP claimed
US-7488811-B2 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2009-02-10 US claimed
US-20060058246-A1 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2006-03-16 US claimed
EP-1529053-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 2005-05-11 EP claimed
WO-2004013153-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2004-02-12 WO claimed
EP-2258708-A1 Macrolide compounds endowed with antiinflammatory activity Zambon S.p.A. (IT) 2010-12-08 EP disclosed
US-7704960-B2 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2010-04-27 US disclosed
US-20090054357-A1 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2009-02-26 US disclosed
US-7488811-B2 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2009-02-10 US disclosed
US-20060058246-A1 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2006-03-16 US disclosed
EP-1529053-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 2005-05-11 EP disclosed
WO-2004013153-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2004-02-12 WO 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-20090054357-A1 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY CEL, MPO, IL6 ADRB2 3930/4885CYP2C19 1558/4885KDM1A 4267/4885
US-20060058246-A1 Macrolide compounds endowed with antiinflammatory activity CEL, MPO, IL6 ADRB2 3930/4885CYP2C19 1558/4885KDM1A 4267/4885

“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.