SCHEMBL1174161

SCHEMBL1174161

O=C(NO)c1cc2c(s1)CN(C(=O)c1cnn(-c3ccccc3)c1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.56
CFTR P13569 1/20 0.51
PRMT5 O14744 4/20 0.45
WDR77 Q9BQA1 4/20 0.45
SPR P35270 1/20 0.44
HPGDS O60760 1/20 0.43
ALKBH2 Q6NS38 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EIF4A3 P38919 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL1263621 0.84 HDAC6 (0.61) HDAC6CFTRPRMT5WDR77SPR
SCHEMBL1174425 0.80 HDAC6 (0.56) HDAC6SPRALDH1A1
SCHEMBL1173923 0.80 HDAC6 (0.56) HDAC6PRMT5WDR77ALDH1A1KMT2A
SCHEMBL1173965 0.76 HDAC6 (0.61) HDAC6PRMT5WDR77ALDH1A1HDAC1
SCHEMBL1174602 0.76 HDAC6 (0.60) HDAC6PRMT5WDR77HDAC3HDAC1
SCHEMBL1174038 0.75 HDAC6 (0.61) HDAC6PRMT5WDR77ALDH1A1
SCHEMBL1175153 0.75 HDAC6 (0.67) HDAC6PRMT5WDR77MEN1ALDH1A1
SCHEMBL1174515 0.74 HDAC6 (0.54) HDAC6PRMT5WDR77ALDH1A1HDAC3
SCHEMBL1174110 0.74 HDAC6 (0.56) HDAC6PRMT5WDR77HDAC3HDAC1
SCHEMBL16220562 0.74 HDAC6 (0.58) HDAC6PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CFTR 1727/4885PRMT5 821/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885CFTR 1727/4885PRMT5 821/4885

“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.