SCHEMBL461415

SCHEMBL461415

O=C(NO)C1CCc2ccc(Oc3ccc(NC(=O)C4CC4)cc3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
RAF1 P04049 10/20 0.51
BRAF P15056 10/20 0.51
GHSR Q92847 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.42
STS P08842 1/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42

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
SCHEMBL15967913 0.91 RAF1 (0.45) MTNR1AMTNR1BRAF1BRAF
SCHEMBL345624 0.90 MTNR1A (0.51) MTNR1AMTNR1BRAF1BRAFSMN1; SMN2
SCHEMBL346641 0.86 GHSR (0.49) GHSRSMN1; SMN2MAPTHTT
SCHEMBL10197716 0.86 MMP8 (0.49) MTNR1AMTNR1BRAF1BRAF
SCHEMBL10197645 0.85 FAAH (0.54)
SCHEMBL346139 0.85 MTNR1A (0.43) MTNR1AMTNR1BRAF1BRAFGHSR
SCHEMBL345458 0.84 BRAF (0.64) RAF1BRAF
SCHEMBL461378 0.84 BRAF (0.64) RAF1BRAF
SCHEMBL10197653 0.84 ADRB3 (0.46) RAF1BRAF
SCHEMBL346830 0.83 FAAH (0.49) RAF1BRAF

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 6 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
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 1240/4885RAF1 3360/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885RAF1 4055/4885

“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.