SCHEMBL1024986

SCHEMBL1024986

O=C(NOC1CCCCO1)c1ccc2c(c1)CCN(C(=O)CCc1cccnc1)C2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 16/20 0.43
NAMPT P43490 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL2274463 0.97 C3AR1 (0.43) C3AR1PTGDR2
SCHEMBL2278140 0.89 HDAC8 (0.40) NAMPTHDAC6
SCHEMBL1028176 0.80 HDAC6 (0.42) HDAC6
SCHEMBL2276138 0.80 HDAC6 (0.51) C3AR1NAMPTHDAC6
SCHEMBL1026241 0.80 KDM4E (0.42) NAMPTHDAC6PTGDR2
Hydrochloric Acid SCHEMBL2279998 0.80 HDAC6 (0.50) C3AR1NAMPTHDAC6
SCHEMBL2273673 0.80 HDAC6 (0.61) HDAC6
SCHEMBL1076843 0.79 CPT2 (0.49)
SCHEMBL1025307 0.79 KMT2A (0.46) NAMPTHDAC6
SCHEMBL1024670 0.79 TMEM97 (0.53) HDAC6

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 C3AR1 4799/4885NAMPT 980/4885HDAC6 7/4885

“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.