SCHEMBL6079710

SCHEMBL6079710

CCCCCCc1cc(C(=O)OC)nc2c(OCc3ccccc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
PPARA Q07869 1/20 0.42
BCHE P06276 2/20 0.41
PTGER1 P34995 1/20 0.41
SMPD1 P17405 1/20 0.40
MTNR1B P49286 1/20 0.40
PPIA P62937 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6079754 0.92 HDAC3 (0.44) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6607104 0.92 PTGER1 (0.45) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6080597 0.89 ADORA3 (0.41) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6080881 0.85 MTNR1B (0.58) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6080221 0.83 MTNR1A (0.44) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6599193 0.83 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6079823 0.81 LMNA (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6079245 0.80 GRK6 (0.42) PPARAKDM4E
SCHEMBL6080000 0.80 NOTUM (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6080269 0.80 CTSL (0.48) MTNR1AHDAC3HDAC4HDAC1HDAC7

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 MTNR1A 2782/4885HDAC3 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.