Sugi Predict

Sugi Predict / Compounds / SCHEMBL2611250

SCHEMBL2611250

SCHEMBL2611250

O=C(NO)c1ccc2ccn(CCCc3ccccc3)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 12/20 0.51
▸ HDAC1 Q13547 13/20 0.50
▸ HDAC6 Q9UBN7 13/20 0.48
▸ HDAC3 O15379 6/20 0.48
▸ HDAC11 Q96DB2 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC4 P56524 5/20 0.48
▸ HDAC7 Q8WUI4 5/20 0.48
▸ HDAC5 Q9UQL6 5/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ MELK Q14680 1/20 0.44
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL2116948 0.89 HDAC6 (0.49) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2118923 0.89 HDAC6 (0.45) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2116422 0.86 HDAC6 (0.60) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2611314 0.86 HDAC6 (0.46) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2116590 0.86 HDAC6 (0.56) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL1608442 0.85 HDAC8 (0.55) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2611388 0.84 HDAC6 (0.46) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL10267901 0.84 SMPD1 (0.49) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2117041 0.84 HDAC6 (0.44) HDAC8HDAC1HDAC6HDAC3HDAC11
SCHEMBL2120793 0.83 HDAC6 (0.47) HDAC8HDAC1HDAC6HDAC3HDAC11

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 HDAC8 14/4885HDAC1 2/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC8 14/4885HDAC1 2/4885HDAC6 1/4885

“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.