SCHEMBL6080461

SCHEMBL6080461

O=C(O)c1nc2c(OCc3ccccc3)cccc2cc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
MRGPRX4 Q96LA9 5/20 0.47
KDM4E B2RXH2 3/20 0.46
PTGER1 P34995 4/20 0.46
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
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPT P10636 1/20 0.43
CCR6 P51684 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6080013 0.86 CYP1A2 (0.46) MRGPRX4KDM4EMAPTHSD17B10MEN1
SCHEMBL27629254 0.84 MRGPRX4 (0.55) FOLH1MRGPRX4KDM4EPTGER1HDAC3
SCHEMBL6079648 0.82 PTGER1 (0.48) FOLH1KDM4EPTGER1MAPTPOLB
SCHEMBL6081012 0.80 THRA (0.43) PTGER1MEN1KMT2ASMN1; SMN2
SCHEMBL6591663 0.78 MRGPRX4 (0.43) FOLH1MRGPRX4KDM4EPTGER1HDAC3
SCHEMBL6079923 0.78 XDH (0.41) FOLH1PTGER1MAPTL3MBTL1NPC1
SCHEMBL6593190 0.77 PTGER1 (0.43) FOLH1MRGPRX4KDM4EPTGER1HDAC3
SCHEMBL6079724 0.77 CYP1A2 (0.47) KDM4EMAPTL3MBTL1HPGDKMT2A
SCHEMBL6586376 0.75 SRD5A2 (0.52) FOLH1MRGPRX4SRD5A2LMNA
SCHEMBL6591502 0.75 HDAC3 (0.61) KDM4EPTGER1HDAC3HDAC4HDAC1

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 FOLH1 3307/4885MRGPRX4 238/4885KDM4E 1006/4885

“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.