SCHEMBL1173788

SCHEMBL1173788

Cn1c(C(=O)N2CCc3sc(C(=O)NO)cc3C2)cc2cc(NC(=O)C3CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.55
▸ BRD4 O60885 1/20 0.41
▸ KDM1A O60341 5/20 0.40
▸ QRFPR Q96P65 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ AHR P35869 1/20 0.38
▸ F11 P03951 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL1173939 0.93 HDAC6 (0.55) HDAC6BRD4QRFPRKCNH2CYP2D6
SCHEMBL12883422 0.81 HDAC6 (0.60) HDAC6KDM1AQRFPRKCNH2CYP2D6
SCHEMBL7795333 0.81 HDAC6 (0.59) HDAC6KDM1AQRFPRKCNH2CYP2D6
SCHEMBL12883087 0.74 HDAC6 (0.60) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL7796723 0.74 HDAC6 (0.59) HDAC6BRD4QRFPRKCNH2CYP2D6
SCHEMBL1173979 0.73 HDAC6 (0.66) HDAC6KDM1AHDAC3HDAC1HDAC8
SCHEMBL1174737 0.72 HDAC6 (1.00) HDAC6KDM1AHDAC3HDAC1HDAC8
SCHEMBL16220611 0.72 NAMPT (0.50) F11
SCHEMBL7795389 0.70 HDAC6 (0.74) HDAC6KDM1AHDAC3HDAC1HDAC8
SCHEMBL12868309 0.69 THRB (0.44) F11

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 8 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — 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
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 1/4885BRD4 164/4885KDM1A 188/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885BRD4 164/4885KDM1A 188/4885

“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.

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