SCHEMBL435997

SCHEMBL435997

O=C(NO)C1CCc2ccc(-c3ccc(F)c(Cl)c3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
ADRB3 P13945 6/20 0.44
ADRB1 P08588 5/20 0.44
TDP2 O95551 1/20 0.41
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 4/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MALT1 Q9UDY8 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL435688 0.87 ADRB3 (0.47) HDAC8ADRB3ADRB1P2RX7HDAC6
SCHEMBL346051 0.84 CA1 (0.47) HDAC8ADRB3ADRB1TDP2P2RX7
SCHEMBL10259280 0.82 HDAC8 (0.39) HDAC8ADRB3ADRB1HDAC6
SCHEMBL346797 0.82 FAAH (0.45) HDAC8ADRB3ADRB1P2RX7HDAC6
SCHEMBL436838 0.81 P2RX7 (0.46) HDAC8ADRB3ADRB1P2RX7HDAC6
SCHEMBL10260016 0.81 FAAH (0.51) HDAC8ADRB3ADRB1HDAC6
SCHEMBL438436 0.80 TDP2 (0.44) HDAC8ADRB3TDP2
SCHEMBL461008 0.79 ADRB1 (0.50) HDAC8ADRB3ADRB1TDP2KMT2A
SCHEMBL10259279 0.79 TSHR (0.40) ADRB3ADRB1KMT2AMEN1ALDH1A1
SCHEMBL459845 0.79 FAAH (0.49) HDAC8ADRB3ADRB1HDAC6

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

“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.