SCHEMBL3095833

SCHEMBL3095833

CC(=CC(=O)O)c1cnc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.64
RAB9A P51151 3/20 0.52
CFTR P13569 1/20 0.51
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
BCAT1 P54687 1/20 0.48
KDR P35968 1/20 0.48
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL3095816 1.00 MGAM (0.64) MGAMRAB9ACFTRMAP4K4CSNK1G2
SCHEMBL3095823 1.00 MGAM (0.64) MGAMRAB9ACFTRMAP4K4CSNK1G2
Hydrochloric Acid SCHEMBL6784466 0.98 MGAM (0.62) MGAMRAB9ACFTRMAP4K4CSNK1G2
SCHEMBL6784461 0.87 MGAM (0.58) MGAMRAB9ACFTRMAP4K4CSNK1G2
SCHEMBL13096310 0.84 KDM4E (0.58) MGAMRAB9ACFTRMAP4K4CSNK1G2
SCHEMBL3721114 0.82 MGAM (0.52) MGAMRAB9ACFTRMAP4K4CSNK1G2
SCHEMBL26623559 0.81 ALPL (0.41) MGAMRAB9ACYP1A2CYP3A4NPC1
SCHEMBL7239286 0.81 ALOX15 (0.58) RAB9ABCAT1KMT2AMEN1MAPT
SCHEMBL7239277 0.81 ALOX15 (0.58) RAB9ABCAT1KMT2AMEN1MAPT
SCHEMBL29684771 0.80 MGAM (0.71) MGAMRAB9ACFTRMAP4K4CSNK1G2

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-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 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-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES PTGIS, ADRB2, ADRB1 MGAM 4614/4885RAB9A 2417/4885CFTR 845/4885

“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.