SCHEMBL437694

SCHEMBL437694

O=C(NO)C1CCc2ccc(-c3ccc4ccccc4c3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC4 P56524 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
GHSR Q92847 1/20 0.41
FAAH O00519 4/20 0.41
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A2 P23975 3/20 0.40
P2RX7 Q99572 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
SCHEMBL10260016 0.88 FAAH (0.51) HDAC8HDAC4HDAC3HDAC1HDAC7
SCHEMBL459845 0.86 FAAH (0.49) HDAC8HDAC4HDAC3HDAC1HDAC7
SCHEMBL436970 0.85 MTNR1A (0.49) HDAC8HDAC1HDAC2HDAC6
SCHEMBL10264831 0.83 ABL1 (0.45) HDAC8GHSR
SCHEMBL459626 0.82 MTNR1A (0.50) FAAH
SCHEMBL435688 0.82 ADRB3 (0.47) HDAC8HDAC1HDAC2HDAC6FAAH
SCHEMBL461864 0.81 ABL1 (0.42) GSK3BHDAC8HDAC2
SCHEMBL436715 0.81 APP (0.42) HDAC8HDAC4HDAC3HDAC1HDAC7
SCHEMBL459687 0.81 SLC2A1 (0.40) HDAC8SLC6A3
SCHEMBL346051 0.81 CA1 (0.47) HDAC8HDAC6FAAHP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
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 (2 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 GSK3B 81/4885HDAC8 13/4885HDAC4 8/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GSK3B 491/4885HDAC8 19/4885HDAC4 14/4885

“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.