SCHEMBL459845

SCHEMBL459845

O=C(NO)C1CCc2ccc(-c3cccc(-c4ccccc4)c3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.49
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 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
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
DGAT1 O75907 1/20 0.42
GHSR Q92847 1/20 0.42

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
SCHEMBL10260016 0.97 FAAH (0.51) FAAHHDAC4HDAC8HDAC6HDAC3
SCHEMBL346051 0.87 CA1 (0.47) FAAHHDAC8HDAC6ADRB1ADRB3
SCHEMBL346515 0.87 DGAT1 (0.43) FAAHDGAT1GHSR
SCHEMBL437694 0.86 GSK3B (0.47) FAAHHDAC4HDAC8HDAC6HDAC3
SCHEMBL435688 0.85 ADRB3 (0.47) FAAHHDAC8HDAC6HDAC1HDAC2
SCHEMBL346350 0.85 MAPK1 (0.48) GHSR
SCHEMBL10197679 0.84 FAAH (0.44) FAAHHDAC8HDAC6HDAC3HDAC1
SCHEMBL10197736 0.84 HDAC1 (0.53) FAAHHDAC8HDAC1HDAC2
SCHEMBL461680 0.83 HDAC4 (0.58) FAAHHDAC4
SCHEMBL7216619 0.83 FAAH (0.55) FAAHADRB1ADRB3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 FAAH 1791/4885HDAC4 8/4885HDAC8 13/4885

“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.