Sugi Predict

Sugi Predict / Compounds / SCHEMBL2611263

SCHEMBL2611263

SCHEMBL2611263

O=C(NO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.56
▸ HDAC1 Q13547 13/20 0.56
▸ HDAC8 Q9BY41 8/20 0.56
▸ HDAC11 Q96DB2 6/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 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
SCHEMBL2619241 0.92 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC11ALDH1A1
SCHEMBL2619415 0.91 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC11ALDH1A1
SCHEMBL2619242 0.90 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2611390 0.88 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2619239 0.85 HDAC1 (0.61) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL2611324 0.84 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL4550029 0.83 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC11SMN1; SMN2
SCHEMBL2611220 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2611287 0.82 HDAC1 (0.49) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2611204 0.82 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC11HDAC3

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 7 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
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 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885

“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.