SCHEMBL4758634

SCHEMBL4758634

Cc1c(-n2ccnn2)c(C(N)=O)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HTT P42858 1/20 0.37
PDE10A Q9Y233 2/20 0.37
LCK P06239 1/20 0.37
MAP2K3 P46734 1/20 0.37
MAP2K6 P52564 1/20 0.37
BTK Q06187 1/20 0.37
MAP3K19 Q56UN5 1/20 0.37
NEK10 Q6ZWH5 1/20 0.37
KDM4E B2RXH2 4/20 0.36
DYRK1A Q13627 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL4758636 0.90 HCRTR1 (0.38) HCRTR1HCRTR2HTTPDE10ALCK
SCHEMBL1840712 0.75 ALDH1A1 (0.49) HTTPDE10ALCKMAP2K3MAP2K6
SCHEMBL4758723 0.75 HCRTR1 (0.36) HCRTR1HCRTR2KDM4EADORA3LMNA
SCHEMBL4758721 0.71 SMN1; SMN2 (0.39) MAPTSMN1; SMN2
Formamide SCHEMBL28891685 0.70 ALDH1A1 (0.44) HTTPDE10ALCKMAP2K3MAP2K6
SCHEMBL979249 0.69 MAPK9 (0.38) MAP2K3KDM4EDYRK1AADORA2AALDH1A1
SCHEMBL27792783 0.69 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL27702745 0.69 SMN1; SMN2 (0.56) KDM4EGLAPOLBADORA3HSD17B10
SCHEMBL3687324 0.68 HCRTR1 (0.55) HCRTR1HCRTR2NOTUMCYP1A2
SCHEMBL17910085 0.68 HCRTR1 (0.52) HCRTR1HCRTR2NOTUMELANE

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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B HCRTR1 1252/4885HCRTR2 1239/4885HTT 3155/4885

“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.