SCHEMBL1264435

SCHEMBL1264435

O=C(NO)c1ccc2c(c1)CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.53
HDAC6 Q9UBN7 9/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC4 P56524 1/20 0.47
TMPRSS2 O15393 1/20 0.47

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
SCHEMBL12895777 0.87 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC3
SCHEMBL10224329 0.81 HSD11B1 (0.50) HSD11B1HDAC1ALDH1A1HDAC4
SCHEMBL17960504 0.79 ALDH1A1 (0.48) HSD11B1HDAC1ALDH1A1HDAC4
SCHEMBL1262881 0.77 HDAC6 (0.65) HDAC6HDAC8HDAC1HDAC3TMPRSS2
SCHEMBL349935 0.77 HSD11B1 (0.61) HSD11B1
SCHEMBL1264270 0.77 HDAC6 (0.61) HDAC6HDAC8HDAC1HDAC3TMPRSS2
SCHEMBL349437 0.75 HSD11B1 (0.68) HSD11B1ALDH1A1
SCHEMBL2520994 0.74 HSD11B1 (0.55) HSD11B1HDAC6HDAC1ALDH1A1HDAC4
SCHEMBL1263309 0.74 HSD11B1 (0.65) HSD11B1HDAC6HDAC8HDAC1HDAC3
SCHEMBL1264284 0.74 HDAC6 (0.71) HDAC6HDAC8HDAC1HDAC3TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP disclosed
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
EP-2445340-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2012-05-02 EP 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
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 HSD11B1 1768/4885HDAC6 1/4885HDAC8 11/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HSD11B1 1768/4885HDAC6 1/4885HDAC8 11/4885

“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.