SCHEMBL1025307

SCHEMBL1025307

O=C(NOC1CCCCO1)c1ccc2c(c1)CCN(C(=O)NCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
NAMPT P43490 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
TPSAB1 Q15661 1/20 0.40

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
SCHEMBL1029594 0.88 SMN1; SMN2 (0.41) KMT2AMEN1NPC1HRH3ALDH1A1
SCHEMBL1082464 0.87 NAMPT (0.45) KMT2AMEN1NPC1HDAC6NAMPT
SCHEMBL1024670 0.86 TMEM97 (0.53) HRH3HDAC6HDAC1
SCHEMBL1027650 0.85 HDAC6 (0.47) HRH3HDAC6HDAC3HDAC1HDAC8
SCHEMBL1081890 0.84 POLB (0.42) ALDH1A1HDAC6HDAC8POLBNAMPT
SCHEMBL1076843 0.83 CPT2 (0.49) KMT2ATDP1MEN1ALDH1A1MAPT
SCHEMBL2282394 0.83 TMEM97 (0.57) HRH3HDAC6HDAC1
SCHEMBL2279778 0.82 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC8
SCHEMBL1079943 0.82 NAMPT (0.49) KMT2AMEN1NPC1ALDH1A1NAMPT
SCHEMBL2273673 0.82 HDAC6 (0.61) ALDH1A1HDAC6HDAC8POLBMAPT

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 5 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 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 KMT2A 60/4885TDP1 1124/4885MEN1 3713/4885

“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.