SCHEMBL6079972

SCHEMBL6079972

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
FOLH1 Q04609 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL6607056 0.91 MRGPRX4 (0.42) MRGPRX4FOLH1ADORA1ADORA3ADORA2A
SCHEMBL6080519 0.89 HPGD (0.43) MRGPRX4ADORA1ADORA3ADORA2AHDAC6
SCHEMBL6592161 0.88 MRGPRX4 (0.46) MRGPRX4FOLH1ADORA1ADORA3ADORA2A
SCHEMBL6080351 0.85 MAPT (0.49) MRGPRX4FOLH1ADORA1ADORA3ADORA2A
SCHEMBL6591920 0.82 THRA (0.41) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6080525 0.80 PTGER1 (0.46) MRGPRX4FOLH1CYP1A2CYP2C9CYP2C19
SCHEMBL6080860 0.78 HRH3 (0.44) MRGPRX4ADORA1ADORA3ADORA2AKDM4E
SCHEMBL6591062 0.78 MRGPRX4 (0.46) MRGPRX4FOLH1ADORA1ADORA3ADORA2A
SCHEMBL6079596 0.78 MRGPRX4 (0.41) MRGPRX4FOLH1ADORA1ADORA3ADORA2A
SCHEMBL6080005 0.77 MAPT (0.48) MRGPRX4FOLH1ADORA1ADORA3ADORA2A

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 238/4885FOLH1 3307/4885ADORA1 1161/4885

“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.