SCHEMBL1264533

SCHEMBL1264533

O=C(NO)c1ccc2c(c1)CCCN(C(=O)c1cc3cc(Cl)ccc3[nH]1)C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
HRH4 Q9H3N8 6/20 0.59
HRH3 Q9Y5N1 2/20 0.59
HDAC6 Q9UBN7 6/20 0.55
HRH1 P35367 1/20 0.54
HDAC8 Q9BY41 1/20 0.52
ABCB1 P08183 4/20 0.51
GPR183 P32249 1/20 0.48

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
SCHEMBL1264307 0.88 NPC1 (0.59) KMT2AMEN1RXFP1HRH4HDAC6
SCHEMBL1262957 0.81 HDAC6 (0.64) KMT2AMEN1RXFP1HRH4HRH3
SCHEMBL1028028 0.80 ABCB1 (0.62) KMT2ARXFP1HRH4ABCB1
SCHEMBL1263651 0.78 NPC1 (0.59) HRH4HRH3HDAC6HDAC8
SCHEMBL16598574 0.78 KMT2A (1.00) KMT2AMEN1RXFP1HRH4HRH3
SCHEMBL2278338 0.76 ABCB1 (0.62) KMT2ARXFP1HRH4ABCB1
SCHEMBL17938630 0.74 HRH4 (0.86) KMT2AMEN1RXFP1HRH4HRH3
SCHEMBL10247020 0.74 PYGL (0.58)
SCHEMBL16599390 0.74 HRH4 (0.76) KMT2AMEN1RXFP1HRH4HRH3
SCHEMBL12895830 0.73 HDAC6 (0.74) HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US claimed
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2010151318-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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 KMT2A 37/4885MEN1 3500/4885RXFP1 3145/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 KMT2A 37/4885MEN1 3500/4885RXFP1 3145/4885

“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.