SCHEMBL2276138

SCHEMBL2276138

O=C(NO)c1ccc2c(c1)CCN(C(=O)CCc1cccnc1)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
NAMPT P43490 3/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
C3AR1 Q16581 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL2279998 0.99 HDAC6 (0.50) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL1027638 0.96 HDAC6 (0.50) HDAC6HDAC8HDAC2NAMPTPTPN2
Hydrochloric Acid SCHEMBL1025913 0.95 HDAC8 (0.49) HDAC6HDAC8HDAC2NAMPTPTPN2
SCHEMBL1083136 0.90 HDAC6 (0.53) HDAC6HDAC8HDAC2HDAC1HDAC3
Hydrochloric Acid SCHEMBL2282482 0.89 HDAC6 (0.52) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL1027612 0.85 HDAC8 (0.52) HDAC6HDAC8HDAC2HDAC1HPGD
Hydrochloric Acid SCHEMBL1027314 0.84 HDAC8 (0.51) HDAC6HDAC8HDAC2HDAC1HPGD
SCHEMBL1024986 0.80 C3AR1 (0.43) HDAC6NAMPTC3AR1
SCHEMBL1264115 0.78 HDAC6 (0.60) HDAC6HDAC8HDAC1HDAC3
SCHEMBL2274463 0.77 C3AR1 (0.43) HDAC8PTPN2PTPN1C3AR1

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 10/4885HDAC2 5/4885

“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.