SCHEMBL1026449

SCHEMBL1026449

O=C(NO)c1ccc2c(c1)CCN(C(=O)NCCOc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.56
HDAC6 Q9UBN7 10/20 0.53
HDAC8 Q9BY41 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 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
SCHEMBL442303 0.89 NAMPT (0.58) NAMPTHDAC6SMN1; SMN2HPGDTSHR
SCHEMBL12895838 0.84 HDAC6 (0.56) NAMPTHDAC6HDAC8SMN1; SMN2HDAC3
SCHEMBL2277596 0.84 HDAC6 (0.58) NAMPTHDAC6HDAC8HDAC3HDAC1
SCHEMBL444536 0.83 NAMPT (0.67) NAMPTHDAC6
SCHEMBL1028114 0.83 MAPT (0.61) HDAC6HDAC8SMN1; SMN2HPGDTSHR
SCHEMBL1264118 0.82 L3MBTL1 (0.53) HDAC6HDAC8SMN1; SMN2HPGDTSHR
SCHEMBL1028559 0.81 KMT2A (0.59) NAMPTHDAC6HDAC8HDAC3HDAC1
SCHEMBL4252424 0.81 NAMPT (0.51) NAMPTSMN1; SMN2HPGDTSHRHSD17B10
SCHEMBL12922758 0.81 HDAC6 (0.62) NAMPTHDAC6HDAC8HDAC3HDAC1
SCHEMBL1263807 0.81 PRMT5 (0.53) HDAC6HDAC8SMN1; SMN2HPGDTSHR

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 9 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-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 EP 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 NAMPT 980/4885HDAC6 7/4885HDAC8 10/4885

“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.