SCHEMBL6860110

SCHEMBL6860110

CCOC(=O)CCCCN(C=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LMNA P02545 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TBXAS1 P24557 3/20 0.43
ALOX5 P09917 1/20 0.43
HDAC9 Q9UKV0 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 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
SCHEMBL7708661 0.91 LMNA (0.47) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL7903528 0.85 HDAC1 (0.62) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL6862763 0.83 HDAC1 (0.49) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL6859239 0.79 FFAR4 (0.46) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL22660216 0.78 HDAC1 (0.43) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL7900388 0.78 HDAC1 (0.54) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL15779663 0.78 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL15150399 0.78 LMNA (0.49) LMNACYP4F2CYP4A11ALOX5SMN1; SMN2
SCHEMBL15779667 0.77 HDAC1 (0.58) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL15779672 0.77 HDAC1 (0.53) HDAC1HDAC6HDAC2HDAC3HDAC4

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 HDAC1 98/4885HDAC6 306/4885HDAC2 270/4885

“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.