SCHEMBL10246967

SCHEMBL10246967

O=C(NO)c1ccc2c(c1)CCC(NC(=O)c1ccc3occc3c1)C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.53
HTR3A P46098 3/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HDAC8 Q9BY41 14/20 0.48
HDAC6 Q9UBN7 8/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL10246883 0.80 HDAC8 (0.65) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL14880251 0.78 HTR1B (0.56) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL10246889 0.76 CA1 (0.58) HDAC8HDAC6HDAC1
SCHEMBL354884 0.75 HDAC8 (0.54) HDAC8HDAC6
SCHEMBL10246878 0.74 NPC1 (0.63) HDAC8HDAC6
SCHEMBL10247271 0.74 HDAC8 (0.68) HDAC8HDAC6
SCHEMBL10247042 0.74 HDAC6 (0.57) HDAC8HDAC6
SCHEMBL10252309 0.73 HDAC8 (0.52) HDAC8HDAC6
SCHEMBL1264422 0.73 HDAC6 (0.65) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL10253556 0.72 MTNR1A (0.61) HDAC8HDAC6

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 CHRNA7 1852/4885HTR3A 1570/4885HTR3E 1080/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CHRNA7 1999/4885HTR3A 964/4885HTR3E 867/4885

“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.