SCHEMBL6859239

SCHEMBL6859239

O=CN(CCCC(=O)O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.46
FFAR1 O14842 1/20 0.46
HDAC6 Q9UBN7 5/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
OPRM1 P35372 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6862763 0.96 HDAC1 (0.49) FFAR4FFAR1HDAC6HDAC1HDAC3
SCHEMBL7711638 0.91 HDAC6 (0.46) FFAR4FFAR1HDAC6HDAC1HDAC3
SCHEMBL22660216 0.79 HDAC1 (0.43) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL6860110 0.79 HDAC1 (0.44) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL28590360 0.78 HDAC2 (0.44) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL28337704 0.78 CYP2D6 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL7708661 0.76 LMNA (0.47) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL7899314 0.76 HDAC1 (0.72) FFAR4FFAR1HDAC6HDAC1HDAC3
SCHEMBL22048451 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TSHRPOLBMAPK1
Hydroxyamine SCHEMBL15764650 0.73 HDAC1 (0.68) FFAR4FFAR1HDAC6HDAC1HDAC3

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 FFAR4 217/4885FFAR1 111/4885HDAC6 306/4885

“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.