SCHEMBL346164

SCHEMBL346164

O=C(NO)C1CCc2ccc(Nc3ccccc3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
GFER P55789 1/20 0.48
GHSR Q92847 1/20 0.44
ACVRL1 P37023 1/20 0.44
ABL1 P00519 1/20 0.43
MAPK14 Q16539 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HDAC8 Q9BY41 3/20 0.39
P2RX7 Q99572 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 2/20 0.39
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL345656 0.88 MAOB (0.43) KMT2AMEN1MAPTGHSRMAPK14
SCHEMBL345641 0.87 ACVRL1 (0.49) GHSRACVRL1HDAC8P2RX7HDAC6
SCHEMBL345545 0.87 NPC1 (0.59) KMT2AMEN1MAPTGHSRNPC1
SCHEMBL438194 0.84 KMT2A (0.45) KMT2AGAAMEN1GHSRNPC1
SCHEMBL434257 0.83 MCHR1 (0.42) KMT2AGAAGHSRRAB9AHDAC8
SCHEMBL346778 0.82 HTR6 (0.54) KMT2AGAAMEN1GFERHDAC8
SCHEMBL346641 0.81 GHSR (0.49) KMT2AGAAMEN1MAPTGFER
SCHEMBL10260016 0.81 FAAH (0.51) GHSRHDAC8HDAC6HDAC1
SCHEMBL346412 0.81 MTNR1A (0.47) MAPK14NPC1RAB9AHDAC8MTNR1A
SCHEMBL461373 0.80 ACVRL1 (0.48) KMT2AMEN1MAPTGHSRACVRL1

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 KMT2A 41/4885GAA 336/4885MEN1 3294/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KMT2A 60/4885GAA 758/4885MEN1 3777/4885

“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.