SCHEMBL459663

SCHEMBL459663

O=C(NO)C1CCc2ccc(-c3cccnc3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.57
CYP11B2 P19099 9/20 0.57
CYP1A2 P05177 7/20 0.57
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2B6 P20813 1/20 0.51
GSK3B P49841 2/20 0.48
DYRK1A Q13627 2/20 0.48
ABL1 P00519 1/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
GRIA2 P42262 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRB3 P13945 1/20 0.46

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
SCHEMBL10197679 0.85 FAAH (0.44) ABL1HDAC8HDAC6HDAC1HDAC3
SCHEMBL10260016 0.85 FAAH (0.51) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL459845 0.83 FAAH (0.49) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL346051 0.81 CA1 (0.47) HDAC8HDAC6ADRB3
SCHEMBL461542 0.80 FAAH (0.49) CYP11B1CYP11B2CYP1A2ABL1HDAC6
SCHEMBL437694 0.79 GSK3B (0.47) GSK3BHDAC8HDAC6HDAC1HDAC7
SCHEMBL435688 0.79 ADRB3 (0.47) HDAC8HDAC6HDAC1HDAC2ADRB3
SCHEMBL346350 0.79 MAPK1 (0.48) GRIA2
SCHEMBL345511 0.78 HDAC8 (0.46) CYP1A2CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL10197736 0.78 HDAC1 (0.53) GSK3BHDAC8HDAC1HDAC2

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 CYP11B1 1393/4885CYP11B2 1469/4885CYP1A2 1488/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CYP11B1 861/4885CYP11B2 984/4885CYP1A2 602/4885

“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.