SCHEMBL4550180

SCHEMBL4550180

O=C(NO)c1ccc2ccn(CCOc3cccc(OCc4ccccc4)c3)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 9/20 0.56
HDAC6 Q9UBN7 8/20 0.49
HDAC1 Q13547 5/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
SPHK2 Q9NRA0 3/20 0.44
SPHK1 Q9NYA1 1/20 0.44
APP P05067 1/20 0.44
ACHE P22303 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL2619272 0.95 SMPD1 (0.55) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL2619344 0.94 SMPD1 (0.50) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL2118644 0.90 HDAC6 (0.46) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL10267901 0.90 SMPD1 (0.49) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL2117623 0.89 SMPD1 (0.58) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL2117041 0.84 HDAC6 (0.44) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL4550059 0.83 MAPT (0.45) SMPD1HDAC6HDAC1HDAC8
SCHEMBL2611314 0.82 HDAC6 (0.46) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL4550110 0.82 SMPD1 (0.43) SMPD1HDAC6HDAC1HDAC8HDAC3
SCHEMBL10268001 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC3HDAC2

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 4 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-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 SMPD1 3414/4885HDAC6 1/4885HDAC1 2/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SMPD1 3414/4885HDAC6 1/4885HDAC1 2/4885

“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.