SCHEMBL10246934

SCHEMBL10246934

O=C(NO)c1cc2c(cc1F)CC(NCc1ccc(Cl)cc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.67
ADRB1 P08588 4/20 0.48
ADRB3 P13945 4/20 0.48
PRMT5 O14744 3/20 0.45
HDAC1 Q13547 2/20 0.41
GRIN2B Q13224 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL10247225 0.81 HDAC8 (0.65) HDAC8ADRB1ADRB3PRMT5HDAC1
SCHEMBL354081 0.81 HDAC8 (0.59) HDAC8PRMT5HDAC1HDAC6
SCHEMBL446824 0.80 HDAC8 (1.00) HDAC8POLBHDAC6
SCHEMBL444785 0.73 HDAC8 (1.00) HDAC8POLBHDAC6
SCHEMBL10246940 0.73 HDAC8 (0.60) HDAC8HDAC1HDAC6HDAC7HDAC9
SCHEMBL354541 0.72 HDAC8 (0.55) HDAC8HDAC6
SCHEMBL354874 0.72 PRMT5 (0.48) HDAC8ADRB1ADRB3PRMT5GRIN2B
SCHEMBL444723 0.71 HDAC8 (0.69) HDAC8HDAC1HDAC6HDAC7HDAC9
SCHEMBL10252402 0.68 HDAC8 (0.60) HDAC8HDAC1HDAC6HDAC7HDAC9
SCHEMBL10247117 0.68 HDAC8 (0.55) HDAC8HDAC1GRIN2BHDAC6HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885ADRB1 2290/4885ADRB3 2115/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885ADRB1 1456/4885ADRB3 1587/4885

“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.