SCHEMBL435688

SCHEMBL435688

O=C(NO)C1CCc2ccc(-c3ccc(Cl)cc3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.47
ADRB1 P08588 5/20 0.47
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NPY5R Q15761 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
P2RX7 Q99572 1/20 0.40
MMP8 P22894 2/20 0.40
FAAH O00519 2/20 0.40
MMP3 P08254 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
SCHEMBL346797 0.95 FAAH (0.45) ADRB3ADRB1HDAC8HDAC6CA1
SCHEMBL346051 0.88 CA1 (0.47) ADRB3ADRB1HDAC8HDAC6CA1
SCHEMBL10260016 0.88 FAAH (0.51) ADRB3ADRB1HDAC8HDAC6HDAC1
SCHEMBL435997 0.87 HDAC8 (0.48) ADRB3ADRB1HDAC8HDAC6P2RX7
SCHEMBL459845 0.85 FAAH (0.49) ADRB3ADRB1HDAC8HDAC6HDAC1
SCHEMBL10197679 0.85 FAAH (0.44) ADRB3HDAC8HDAC6HDAC1HDAC2
SCHEMBL459626 0.84 MTNR1A (0.50) CA1CA2NPY5RFAAH
SCHEMBL461008 0.83 ADRB1 (0.50) ADRB3ADRB1HDAC8
SCHEMBL10197653 0.83 ADRB3 (0.46) ADRB3ADRB1HDAC8CA1CA2
SCHEMBL436855 0.83 GHSR (0.46) ADRB3HDAC8HDAC6CA1CA2

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 5 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
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 ADRB3 2139/4885ADRB1 2185/4885HDAC8 13/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ADRB3 1184/4885ADRB1 1063/4885HDAC8 19/4885

“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.