SCHEMBL6080025

SCHEMBL6080025

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2cccc(Br)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
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
PTGER1 P34995 3/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6079903 0.90 ALDH1A1 (0.44) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6590520 0.89 MRGPRX4 (0.47) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6079894 0.86 THRA (0.42) KMT2ATDP1SMN1; SMN2SLC6A2SLC6A3
SCHEMBL6080347 0.86 MRGPRX4 (0.42) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6081081 0.85 PTGER1 (0.45) MRGPRX4PTGER1SMN1; SMN2NPC1ALDH1A1
SCHEMBL6080651 0.84 PTGER1 (0.42) PTGER1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL2906705 0.83 MAPT (0.49) MRGPRX4KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL6079780 0.82 APP (0.47) KMT2ATDP1MAPTSMN1; SMN2MEN1
SCHEMBL6080317 0.81 MEN1 (0.39) MRGPRX4PTGER1KMT2AMAPTTSHR
SCHEMBL6080488 0.81 SMN1; SMN2 (0.42) MRGPRX4KMT2AMAPTSMN1; SMN2SLC6A2

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 238/4885HDAC3 2114/4885HDAC4 2635/4885

“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.