SCHEMBL345656

SCHEMBL345656

O=C(NO)C1CCc2ccc(Nc3cccc(Cl)c3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK14 Q16539 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
BRAF P15056 1/20 0.40
EGFR P00533 1/20 0.39
P2RX7 Q99572 1/20 0.39
GHSR Q92847 1/20 0.39
FADS1 O60427 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
SCHEMBL346164 0.88 KMT2A (0.48) HDAC6HDAC8NFKB1NFKB2RELA
SCHEMBL344558 0.85 MEN1 (0.40) MAOBNFKB1NFKB2RELAHTT
SCHEMBL434257 0.84 MCHR1 (0.42) HDAC8P2RX7GHSRKMT2ARAB9A
SCHEMBL346051 0.83 CA1 (0.47) MAOBHDAC6HDAC8P2RX7KMT2A
SCHEMBL435715 0.82 MEN1 (0.40) MAOBHDAC6HDAC8NFKB1NFKB2
SCHEMBL435714 0.82 S1PR1 (0.39) MAOBHDAC6HDAC8NFKB1NFKB2
SCHEMBL345641 0.81 ACVRL1 (0.49) HDAC6HDAC8LMNABRAFP2RX7
SCHEMBL10197649 0.80 ADRB3 (0.49) HDAC6HDAC8
SCHEMBL461373 0.79 ACVRL1 (0.48) LMNAMAPTSMN1; SMN2MAPK14P2RX7
SCHEMBL459910 0.78 MTNR1B (0.58) MAPK14ALDH1A1NPC1TSHRRAB9A

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 MAOB 54/4885HDAC6 1/4885HDAC8 13/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MAOB 36/4885HDAC6 1/4885HDAC8 19/4885

“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.