Sugi Predict

Sugi Predict / Compounds / SCHEMBL7800057

SCHEMBL7800057

SCHEMBL7800057

Nc1c[nH]nc1C(=O)N1CCc2cc(C(=O)NO)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.55
▸ ALDH1A1 P00352 4/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM1A O60341 4/20 0.35
▸ POLB P06746 2/20 0.34
▸ PRMT5 O14744 3/20 0.34
▸ WDR77 Q9BQA1 3/20 0.34
▸ F2 P00734 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ WDR91 A4D1P6 1/20 0.33

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
SCHEMBL7788151 0.77 HDAC6 (0.55) HDAC6ALDH1A1TP53HPGDMAPK1
SCHEMBL1175108 0.73 HDAC6 (0.60) HDAC6ALDH1A1HPGDMAPK1GAA
SCHEMBL1174656 0.73 HDAC6 (0.58) HDAC6ALDH1A1TP53HPGDMAPK1
SCHEMBL1174355 0.73 HDAC6 (0.53) HDAC6ALDH1A1TP53HPGDMAPK1
SCHEMBL1174038 0.73 HDAC6 (0.61) HDAC6ALDH1A1HPGDKDM1APRMT5
SCHEMBL1174100 0.73 HDAC6 (0.58) HDAC6ALDH1A1TP53GAAKDM1A
SCHEMBL1173965 0.72 HDAC6 (0.61) HDAC6ALDH1A1KDM1APRMT5WDR77
SCHEMBL1173768 0.72 HDAC6 (0.60) HDAC6ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL12868546 0.72 HDAC6 (0.60) HDAC6ALDH1A1TP53HPGDMAPK1
SCHEMBL1174602 0.71 HDAC6 (0.60) HDAC6KDM1APRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885ALDH1A1 1220/4885TP53 3270/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885ALDH1A1 1220/4885TP53 3270/4885

“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.