SCHEMBL10259282

SCHEMBL10259282

O=C(NO)C1CCc2ccc(-c3cccc([N+](=O)[O-])c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.46
TDP2 O95551 2/20 0.44
USP30 Q70CQ3 1/20 0.44
SLC6A4 P31645 1/20 0.43
PGR P06401 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA1 P30542 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL10259938 0.90 HDAC8 (0.51) HDAC8MMP1MMP2MMP9MAPT
SCHEMBL459845 0.83 FAAH (0.49) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL10260016 0.83 FAAH (0.51) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL346051 0.81 CA1 (0.47) HDAC8TDP2USP30KMT2AHDAC6
SCHEMBL346350 0.79 MAPK1 (0.48) KMT2APOLB
SCHEMBL346515 0.78 DGAT1 (0.43) POLB
SCHEMBL10197736 0.78 HDAC1 (0.53) HDAC8NPC1RAB9AHDAC1HDAC2
SCHEMBL10197667 0.77 GRIA2 (0.53) POLBHDAC1MAPT
SCHEMBL437694 0.77 GSK3B (0.47) HDAC8SLC6A4HDAC3HDAC4HDAC1
SCHEMBL435688 0.77 ADRB3 (0.47) HDAC8HDAC1HDAC6HDAC2

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
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 HDAC8 13/4885TDP2 2532/4885USP30 1250/4885

“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.