SCHEMBL460320

SCHEMBL460320

O=C(NO)C1CCc2ccc(-c3cnc4[nH]ccc4c3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.52
RIPK1 Q13546 2/20 0.47
CDK8 P49336 8/20 0.46
PLK4 O00444 3/20 0.46
MAP4K4 O95819 3/20 0.46
ROS1 P08922 3/20 0.46
MARK3 P27448 3/20 0.46
FLT4 P35916 3/20 0.46
KDR P35968 3/20 0.46
CLK2 P49760 3/20 0.46
CSNK1G2 P78368 3/20 0.46
ROCK1 Q13464 3/20 0.46
MINK1 Q8N4C8 3/20 0.46
AURKB Q96GD4 3/20 0.46
PRKD2 Q9BZL6 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MAP4K5 Q9Y4K4 3/20 0.46
CDK7 P50613 2/20 0.46
ROCK2 O75116 2/20 0.46
PRKD3 O94806 2/20 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
SCHEMBL461130 0.84 ABL1 (0.49) ABL1GSK3B
SCHEMBL461864 0.83 ABL1 (0.42) ABL1GSK3B
SCHEMBL437694 0.77 GSK3B (0.47) GSK3B
SCHEMBL459832 0.77 FAAH (0.38) ABL1MELK
SCHEMBL10197679 0.76 FAAH (0.44) ABL1
SCHEMBL10260016 0.75 FAAH (0.51)
SCHEMBL10261063 0.74 HDAC8 (0.45) PIK3CA
SCHEMBL435688 0.74 ADRB3 (0.47)
SCHEMBL459663 0.74 CYP11B1 (0.57) ABL1GSK3BDYRK1A
SCHEMBL436970 0.73 MTNR1A (0.49) ABL1

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
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
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 ABL1 639/4885RIPK1 1612/4885CDK8 1481/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ABL1 1687/4885RIPK1 2741/4885CDK8 2875/4885

“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.