SCHEMBL4550115

SCHEMBL4550115

O=C(NO)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.69
ALDH1A1 P00352 7/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
LMNA P02545 3/20 0.64
HSD17B10 Q99714 3/20 0.64
GAA P10253 2/20 0.64
HPGD P15428 2/20 0.64
GLA P06280 1/20 0.64
TP53 P04637 3/20 0.64
MAPT P10636 2/20 0.63
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
USP2 O75604 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR3A P46098 2/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL2611279 0.90 RXFP1 (0.56) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2118590 0.88 TP53 (0.57) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2115751 0.84 ALDH1A1 (0.78) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL22201487 0.83 RXFP1 (0.86) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4548108 0.81 TP53 (0.62) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2118929 0.80 ALDH1A1 (0.59) ALDH1A1LMNAHSD17B10GAAHPGD
SCHEMBL2116506 0.79 HTR3A (0.62) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL11798445 0.75 ALDH1A1 (0.67) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4252448 0.75 SMN1; SMN2 (0.66) RXFP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL8480237 0.75 MEN1 (0.73) RXFP1ALDH1A1KMT2AMEN1LMNA

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 6 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-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

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 414/4885ALDH1A1 298/4885KMT2A 35/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 RXFP1 414/4885ALDH1A1 298/4885KMT2A 35/4885

“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.