SCHEMBL6498366

SCHEMBL6498366

O=[N+]([O-])CCCNc1ccccc1-c1nc2cc(Cl)cc(Cl)c2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
CETP P11597 2/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CEPT1 Q9Y6K0 1/20 0.35
APEX1 P27695 2/20 0.34
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6507071 0.84 FERMT2 (0.41) MAPTCETPHDAC3HDAC4HDAC1
SCHEMBL6498371 0.81 MAPT (0.47) MAPTCETPHDAC3HDAC4HDAC1
SCHEMBL5834875 0.75 RIPK1 (0.44) MAPTCETPALDH1A1APEX1SMN1; SMN2
SCHEMBL6498374 0.72 CETP (0.39) MAPTCETPALDH1A1CEPT1APEX1
SCHEMBL5834480 0.68 MAPT (0.42) MAPTCETPHDAC3HDAC4HDAC1
SCHEMBL10725702 0.68 MAPT (0.47) MAPTCETPHDAC3HDAC1HDAC2
SCHEMBL5834492 0.67 APEX1 (0.51) MAPTALDH1A1APEX1L3MBTL1NPC1
SCHEMBL31532250 0.66 C1R (0.48) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL25787849 0.66 C1R (0.48) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL6507080 0.65 MAPT (0.38) MAPTCETPHDAC3HDAC4HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 MAPT 1342/4885CETP 4194/4885HDAC3 4/4885

“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.