SCHEMBL2611279

SCHEMBL2611279

O=C(NO)c1ccc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.56
TP53 P04637 3/20 0.53
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45

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
SCHEMBL4550115 0.90 RXFP1 (0.69) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL2611397 0.80 KDM4E (0.59) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL2116094 0.79 HTR3A (0.50) TP53ALDH1A1KMT2AGAAHSD17B10
SCHEMBL2118590 0.78 TP53 (0.57) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL6981446 0.74 KDM4E (0.71) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL6394910 0.74 ALDH1A1 (0.53) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL2115751 0.73 ALDH1A1 (0.78) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL22201487 0.73 RXFP1 (0.86) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL4548108 0.72 TP53 (0.62) RXFP1TP53ALDH1A1KMT2AGAA
SCHEMBL5461862 0.71 GAA (0.67) RXFP1TP53ALDH1A1KMT2AGAA

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 RXFP1 414/4885TP53 3174/4885ALDH1A1 298/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 RXFP1 414/4885TP53 3174/4885ALDH1A1 298/4885

“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.