SCHEMBL6079596

SCHEMBL6079596

O=C(OCc1ccccc1)c1nc2c(OCc3ccccc3)cccc2c(OCc2ccccc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6592161 0.90 MRGPRX4 (0.46) MRGPRX4ADORA1ADORA3ADORA2AHDAC3
SCHEMBL6079516 0.85 MRGPRX4 (0.40) MRGPRX4ADORA1ADORA3ADORA2AHDAC3
SCHEMBL6080478 0.85 XDH (0.39) ADORA2AMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL6080519 0.79 HPGD (0.43) MRGPRX4ADORA1ADORA3ADORA2AHDAC3
SCHEMBL6591062 0.78 MRGPRX4 (0.46) MRGPRX4ADORA1ADORA3ADORA2AHDAC3
SCHEMBL6079972 0.78 MRGPRX4 (0.46) MRGPRX4ADORA1ADORA3ADORA2AHDAC3
SCHEMBL6607056 0.76 MRGPRX4 (0.42) MRGPRX4ADORA1ADORA3ADORA2AHDAC3
SCHEMBL3091054 0.75 KMT2A (0.53) SMN1; SMN2L3MBTL1TOP2ATOP2BKMT2A
SCHEMBL6079644 0.74 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6594157 0.74 XDH (0.40) MRGPRX4KDM4EALDH1A1

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.