SCHEMBL461130

SCHEMBL461130

O=C(NO)C1CCc2ccc(-c3ccc4[nH]ccc4c3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC1 Q13547 1/20 0.41
PTGS2 P35354 1/20 0.40
CREBBP Q92793 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
VCP P55072 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX1 P07099 1/20 0.37
HSD11B1 P28845 1/20 0.37
FASN P49327 1/20 0.36
ATR Q13535 1/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36

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
SCHEMBL461864 0.92 ABL1 (0.42) ABL1GSK3AGSK3BHDAC2HSD11B1
SCHEMBL460320 0.84 ABL1 (0.52) ABL1GSK3B
SCHEMBL437694 0.81 GSK3B (0.47) GSK3BHDAC2HDAC1HDAC6
SCHEMBL459832 0.81 FAAH (0.38) ABL1HDAC1HDAC6HSD11B1
SCHEMBL10260016 0.79 FAAH (0.51) HDAC2HDAC1HDAC6
SCHEMBL435688 0.78 ADRB3 (0.47) HDAC2HDAC1HDAC6CA1CA2
SCHEMBL459687 0.77 SLC2A1 (0.40) NPC1VCPCA12CA1CA2
SCHEMBL436970 0.77 MTNR1A (0.49) ABL1HDAC2HDAC1NPC1HDAC6
SCHEMBL459845 0.77 FAAH (0.49) HDAC2HDAC1HDAC6
SCHEMBL10197679 0.77 FAAH (0.44) ABL1HDAC2HDAC1HDAC6

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 ABL1 639/4885GSK3A 101/4885GSK3B 81/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ABL1 1687/4885GSK3A 594/4885GSK3B 491/4885

“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.