SCHEMBL2275946

SCHEMBL2275946

O=C(NO)c1ccc2c(c1)CCN(C(=O)NCCc1c[nH]c3ccccc13)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.60
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
MMP9 P14780 1/20 0.51
SIRT1 Q96EB6 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL1029844 0.85 HDAC6 (0.53) NAMPTRAB9AHDAC6HDAC3HDAC1
Hydrochloric Acid SCHEMBL1074823 0.84 HDAC6 (0.52) NAMPTRAB9AHDAC6HDAC3HDAC1
SCHEMBL1079943 0.82 NAMPT (0.49) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL12895838 0.81 HDAC6 (0.56) NAMPTMEN1KMT2ANPC1HDAC6
SCHEMBL2279811 0.81 ALDH1A1 (0.53) NAMPTRAB9AHDAC6HDAC3HDAC1
SCHEMBL1028529 0.77 HDAC6 (0.56) NAMPTMEN1KMT2ANPC1HDAC6
SCHEMBL1028559 0.77 KMT2A (0.59) NAMPTMEN1KMT2ANPC1HDAC6
SCHEMBL12922758 0.77 HDAC6 (0.62) NAMPTHDAC6HDAC3HDAC1HDAC8
SCHEMBL5463853 0.76 MEN1 (0.63) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL3709001 0.75 NAMPT (1.00) NAMPTMEN1KMT2ANPC1RAB9A

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 NAMPT 980/4885MEN1 3713/4885KMT2A 60/4885

“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.