SCHEMBL10197679

SCHEMBL10197679

O=C(NO)C1CCc2ccc(-c3ccncc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.44
ABL1 P00519 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
ADRB3 P13945 1/20 0.39
GPR142 Q7Z601 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
P2RX7 Q99572 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
HDAC8 Q9BY41 2/20 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
SCHEMBL461542 0.95 FAAH (0.49) FAAHABL1HDAC1HDAC3HDAC2
SCHEMBL10260016 0.86 FAAH (0.51) FAAHHDAC1HDAC3HDAC2HDAC6
SCHEMBL435688 0.85 ADRB3 (0.47) FAAHHDAC1HDAC2HDAC6ADRB3
SCHEMBL459663 0.85 CYP11B1 (0.57) ABL1HDAC1HDAC3HDAC2HDAC6
SCHEMBL461008 0.85 ADRB1 (0.50) ADRB3HDAC8
SCHEMBL459845 0.84 FAAH (0.49) FAAHHDAC1HDAC3HDAC2HDAC6
SCHEMBL459626 0.83 MTNR1A (0.50) FAAHMMP1MMP2MMP9MMP13
SCHEMBL345641 0.82 ACVRL1 (0.49) HDAC6P2RX7HDAC8
SCHEMBL436855 0.82 GHSR (0.46) FAAHHDAC1HDAC6ADRB3HDAC8
SCHEMBL346830 0.81 FAAH (0.49) FAAH

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 4 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
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 FAAH 1791/4885ABL1 639/4885HDAC1 2/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 FAAH 651/4885ABL1 1687/4885HDAC1 4/4885

“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.