SCHEMBL1174072

SCHEMBL1174072

O=C(NO)c1cc2c(s1)CN(C(=O)c1ccco1)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.62
PRMT5 O14744 1/20 0.56
WDR77 Q9BQA1 1/20 0.56
ALDH1A1 P00352 9/20 0.53
MAPT P10636 4/20 0.53
MDM2 Q00987 1/20 0.53
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL1174015 0.80 HDAC6 (0.60) HDAC6PRMT5WDR77ALDH1A1MAPT
SCHEMBL1173965 0.77 HDAC6 (0.61) HDAC6PRMT5WDR77ALDH1A1KDM4E
SCHEMBL16220562 0.76 HDAC6 (0.58) HDAC6PRMT5WDR77
SCHEMBL1173968 0.76 HDAC6 (1.00) HDAC6KMT2A
SCHEMBL1174602 0.76 HDAC6 (0.60) HDAC6PRMT5WDR77
SCHEMBL1175108 0.76 HDAC6 (0.60) HDAC6PRMT5WDR77ALDH1A1MAPT
SCHEMBL1174038 0.75 HDAC6 (0.61) HDAC6PRMT5WDR77ALDH1A1HPGD
SCHEMBL1175153 0.75 HDAC6 (0.67) HDAC6PRMT5WDR77ALDH1A1HPGD
SCHEMBL1174100 0.75 HDAC6 (0.58) HDAC6PRMT5WDR77ALDH1A1MAPT
SCHEMBL7796825 0.75 HDAC6 (0.74) HDAC6PRMT5WDR77NPC1RAB9A

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.