SCHEMBL6079516

SCHEMBL6079516

O=C(OCc1ccccc1)c1nc2c(OCc3ccccc3)cccc2c(OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
PTGER1 P34995 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL6591062 0.91 MRGPRX4 (0.46) MRGPRX4ADORA1ADORA3ADORA2ANPC1
SCHEMBL6079596 0.85 MRGPRX4 (0.41) MRGPRX4ADORA1ADORA3ADORA2ANPC1
SCHEMBL6592161 0.77 MRGPRX4 (0.46) MRGPRX4ADORA1ADORA3ADORA2ANPC1
SCHEMBL3091054 0.74 KMT2A (0.53) SMN1; SMN2L3MBTL1TOP2ATOP2BKMT2A
SCHEMBL6079521 0.73 FOLH1 (0.40) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17598786 0.72 TDP1 (0.61) ADORA2ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6080005 0.71 MAPT (0.48) MRGPRX4ADORA1ADORA3ADORA2ANPC1
SCHEMBL6080478 0.71 XDH (0.39) ADORA2ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6080222 0.70 HDAC3 (0.59) MAPTKMT2AHTTKDM4EALDH1A1
SCHEMBL17736786 0.70 ALDH1A1 (0.49) MRGPRX4NPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MRGPRX4 238/4885ADORA1 1161/4885ADORA3 1328/4885

“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.