SCHEMBL1353255

SCHEMBL1353255

COc1ccc2ncc(C(=O)NO)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 15/20 0.63
ALDH1A1 P00352 1/20 0.59
F2 P00734 1/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL1352625 0.89 HPGDS (0.80) HPGDS
SCHEMBL20799517 0.85 ALDH1A1 (0.62) HPGDSALDH1A1F2GLAHPGD
SCHEMBL1350785 0.85 NPC1 (0.66) HPGDSALDH1A1HDAC6HDAC3HDAC1
SCHEMBL4407431 0.84 ALDH1A1 (0.68) HPGDSALDH1A1F2GLAHPGD
SCHEMBL61795 0.84 ALDH1A1 (0.64) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3845152 0.82 HPGDS (0.78) HPGDSALDH1A1F2GLAHPGD
Hydrochloric Acid SCHEMBL6085328 0.82 ALDH1A1 (0.62) HPGDSALDH1A1F2GLAHPGD
SCHEMBL1353774 0.82 HDAC8 (0.57) HPGDSHDAC6HDAC3HDAC1HDAC2
SCHEMBL1352478 0.81 HDAC3 (0.46) HPGDSHDAC6HDAC3HDAC1HDAC2
SCHEMBL1352582 0.81 KDR (0.46) HPGDSHDAC6HDAC3HDAC1HDAC2

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-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US claimed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 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 (1 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-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HPGDS 1550/4885ALDH1A1 487/4885F2 4116/4885

“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.