SCHEMBL1080738

SCHEMBL1080738

Cc1ccc(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.67
▸ HDAC8 Q9BY41 5/20 0.67
▸ HDAC3 O15379 1/20 0.65
▸ HDAC1 Q13547 1/20 0.65
▸ TMPRSS2 O15393 1/20 0.55
▸ HTT P42858 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ PRMT5 O14744 3/20 0.51
▸ WDR77 Q9BQA1 3/20 0.51

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
SCHEMBL1026165 0.95 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL12895832 0.93 HDAC6 (0.73) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL12895830 0.92 HDAC6 (0.74) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL12896097 0.84 HDAC6 (0.69) HDAC6HDAC8HDAC3HDAC1HPGD
SCHEMBL1027560 0.83 HDAC6 (0.73) HDAC6HDAC8HDAC3HDAC1PRMT5
SCHEMBL1264099 0.83 HDAC6 (0.59) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL1263318 0.83 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1MEN1
SCHEMBL12895851 0.82 HDAC6 (0.58) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL1081445 0.81 HDAC6 (0.70) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL3282215 0.81 PRMT5 (0.63) HDAC6HDAC8HDAC3HDAC1HTT

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-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 — — US claimed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 — — US claimed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 — — EP claimed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 — — US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 — — US disclosed
EP-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 — — EP disclosed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 — — WO disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 — — EP 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-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 HDAC6 7/4885HDAC8 10/4885HDAC3 2/4885

“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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