SCHEMBL4873803

SCHEMBL4873803

[c]1nc2ccc(NC3CC3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.38
MAOB P27338 1/20 0.38
HCAR3 P49019 3/20 0.37
MALT1 Q9UDY8 3/20 0.36
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 1/20 0.32
CTSK P43235 2/20 0.32
ACP1 P24666 1/20 0.32

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
SCHEMBL973136 0.76 MAOB (0.49) MAOBHCAR3
SCHEMBL4636099 0.70 PIM1 (0.39) MAOBHCAR3ALDH1A1KDM4ELMNA
SCHEMBL970352 0.67 HRH3 (0.44) MAP4K4KMT2APIM1HRH3CYP2C19
SCHEMBL969519 0.66 PLAU (0.36)
SCHEMBL971212 0.66
SCHEMBL2892169 0.66 RAB9A (0.39) CYP1A2USP2ALDH1A1TP53HSD17B10
SCHEMBL970207 0.66 CRHBP (0.31) HRH3
SCHEMBL969815 0.66
Hydrochloric Acid SCHEMBL4873994 0.65 HDAC6 (0.44) MAP4K4MAOBHCAR3ALOX15ALDH1A1
SCHEMBL14693720 0.64 MAOB (0.60) MAP4K4MAOBCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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 (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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 MAP4K4 3129/4885MAOB 4722/4885HCAR3 30/4885

“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.