SCHEMBL1173997

SCHEMBL1173997

O=C(NO)c1cc2c(s1)CN(S(=O)(=O)CC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.47
PRMT5 O14744 7/20 0.43
WDR77 Q9BQA1 7/20 0.43
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7800519 0.88 KDM4E (0.41) HDAC6PRMT5WDR77RAB9AALDH1A1
SCHEMBL1263299 0.80 HDAC6 (0.54) HDAC6
SCHEMBL1174315 0.79 HDAC6 (0.54) HDAC6PRMT5WDR77RAB9AALDH1A1
SCHEMBL1173960 0.77 HDAC6 (0.52) HDAC6PRMT5WDR77RAB9AALDH1A1
SCHEMBL12868604 0.73 HDAC6 (0.52) HDAC6PRMT5WDR77RAB9AALDH1A1
SCHEMBL1173781 0.71 HDAC6 (0.56) HDAC6PRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL1173811 0.70 HDAC6 (0.66) HDAC6PRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL1174345 0.70 HDAC6 (0.54) HDAC6PRMT5WDR77ALDH1A1KMT2A
SCHEMBL1173761 0.69 AKR1C3 (0.46) HDAC6PRMT5WDR77ALDH1A1KMT2A
SCHEMBL12868939 0.68 TDP1 (0.56) HDAC6RAB9AALDH1A1SMN1; SMN2KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US claimed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885

“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.