SCHEMBL346139

SCHEMBL346139

O=C(NO)C1CCc2cc(Oc3ccc(NC(=O)C4CCNC4)cc3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
FAAH O00519 8/20 0.42
GHSR Q92847 1/20 0.41
RAF1 P04049 7/20 0.41
BRAF P15056 7/20 0.41
MCHR1 Q99705 1/20 0.40
HDAC8 Q9BY41 1/20 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
SCHEMBL461415 0.85 MTNR1A (0.54) MTNR1AMTNR1BGHSRRAF1BRAF
SCHEMBL435892 0.83 ULK1 (0.51) GHSR
SCHEMBL436906 0.81 CHEK2 (0.41) FAAH
SCHEMBL15967913 0.81 RAF1 (0.45) MTNR1AMTNR1BFAAHRAF1BRAF
SCHEMBL10197685 0.80 FAAH (0.60) FAAH
SCHEMBL346899 0.78 FAAH (0.54) FAAH
SCHEMBL436770 0.77 ULK1 (0.46) GHSR
SCHEMBL10197716 0.76 MMP8 (0.49) MTNR1AMTNR1BRAF1BRAFHDAC8
SCHEMBL346517 0.76 GHSR (0.49) GHSR
SCHEMBL345624 0.76 MTNR1A (0.51) MTNR1AMTNR1BRAF1BRAF

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 MTNR1A 1579/4885MTNR1B 1240/4885FAAH 1791/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885FAAH 651/4885

“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.