SCHEMBL1173939

SCHEMBL1173939

Cn1c(C(=O)N2CCc3cc(C(=O)NO)sc3C2)cc2cc(NC(=O)C3CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.55
▸ BRD4 O60885 1/20 0.41
▸ QRFPR Q96P65 4/20 0.39
▸ KCNH2 Q12809 3/20 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
▸ NPC1 O15118 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SYK P43405 1/20 0.35

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
SCHEMBL1173788 0.93 HDAC6 (0.55) HDAC6BRD4QRFPRKCNH2CYP2D6
SCHEMBL12883087 0.81 HDAC6 (0.60) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL7796723 0.81 HDAC6 (0.59) HDAC6BRD4QRFPRKCNH2CYP2D6
SCHEMBL12883422 0.74 HDAC6 (0.60) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL7795333 0.74 HDAC6 (0.59) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL1173867 0.73 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC8ALDH1A1
SCHEMBL1173968 0.72 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8
SCHEMBL16220611 0.72 NAMPT (0.50) F11NPC1KDM4EALDH1A1
SCHEMBL7796825 0.70 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC8NPC1
SCHEMBL12868309 0.69 THRB (0.44) F11NPC1KDM4EALDH1A1

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 164/4885QRFPR 874/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885BRD4 164/4885QRFPR 874/4885

“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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