SCHEMBL2279415

SCHEMBL2279415

O=C(NO)c1ccc2c(c1)CCN(C(=O)c1ccc3[nH]ccc3c1)C2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
GPR183 P32249 1/20 0.49
MAPK14 Q16539 1/20 0.47

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
SCHEMBL1025449 0.96 HDAC6 (0.53) HDAC6HDAC8HDAC3HDAC1PRMT5
SCHEMBL3281265 0.84 MYC (0.54) PRMT5WDR77GPR183MAPK14
SCHEMBL17960573 0.83 CREBBP (0.52) HDAC6HDAC8HDAC3HDAC1PRMT5
SCHEMBL1262957 0.79 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1MAPK14
SCHEMBL1081871 0.79 CHRM2 (0.42) HDAC6PRMT5WDR77
SCHEMBL1991906 0.79 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1
SCHEMBL4150881 0.78 MAPK14 (0.60) PRMT5WDR77GPR183MAPK14
SCHEMBL722609 0.78 MAPK14 (0.53) HDAC6HDAC8HDAC3HDAC1MAPK14
SCHEMBL1080738 0.77 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1PRMT5
SCHEMBL1081769 0.75 CHRM2 (0.42) PRMT5WDR77

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 6 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-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.