SCHEMBL1927152

SCHEMBL1927152

Ic1c[c]cc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
CCR1 P32246 5/20 0.46
CCR8 P51685 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TP53 P04637 3/20 0.46
HSP90AA1 P07900 3/20 0.46
ALOX15 P16050 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HIF1A Q16665 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CCR5 P51681 3/20 0.46
MMP2 P08253 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
GMNN O75496 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL1926970 0.76 LMNA (0.46) LMNACCR1CCR8KDM4ETP53
SCHEMBL2401863 0.76 MMP2 (0.59) LMNACCR1CCR8KDM4ETP53
SCHEMBL1929733 0.76 CCR1 (0.47) LMNACCR1CCR8KDM4ETP53
SCHEMBL1926708 0.76 CCR1 (0.46) LMNACCR1CCR8KDM4ETP53
SCHEMBL1926880 0.76 LMNA (0.48) LMNACCR1CCR8KDM4ETP53
SCHEMBL28596468 0.76 HSP90AA1 (0.46) LMNACCR1CCR8KDM4ETP53
SCHEMBL1282001 0.74 KDM4E (0.61) LMNACCR1CCR8KDM4ETP53
SCHEMBL67915 0.72 CCR1 (0.64) LMNACCR1CCR8KDM4ETP53
SCHEMBL4477202 0.72 MEN1 (0.49) LMNACCR1CCR8KDM4ETP53
SCHEMBL18583712 0.69 LMNA (0.48) LMNACCR1CCR8KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 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 (1 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC LMNA 4617/4885CCR1 2805/4885CCR8 3747/4885

“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.