SCHEMBL5083134

SCHEMBL5083134

O=C(NCC1CCCCC1)c1cncnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.55
MLYCD O95822 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CA2 P00918 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
MMP13 P45452 1/20 0.51
ROCK2 O75116 1/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 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
SCHEMBL30635470 0.98 HDAC6 (0.52) HDAC6MLYCDMEN1KMT2ACA2
SCHEMBL30635471 0.95 HDAC6 (0.49) HDAC6MLYCDMEN1KMT2ACA2
SCHEMBL30635495 0.92 NAMPT (0.47) HDAC6MLYCDMEN1KMT2ACA2
SCHEMBL25211639 0.84 ITGB3 (0.51) NAMPT
SCHEMBL4179469 0.82 ALDH1A1 (0.62) HDAC6MLYCDMEN1KMT2AROCK2
SCHEMBL3429186 0.82 ALDH1A1 (0.62) HDAC6MLYCDMEN1KMT2AROCK2
SCHEMBL26671791 0.81 HDAC6 (0.57) HDAC6MLYCDMEN1KMT2ACA2
SCHEMBL2917118 0.81 TDP1 (0.68) HDAC6MLYCDMEN1KMT2ACA2
SCHEMBL10722498 0.81 HDAC6 (0.77) HDAC6MLYCDMEN1KMT2ACA2
SCHEMBL26671766 0.79 HDAC6 (0.55) HDAC6MLYCDMEN1KMT2ACA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HDAC6 639/4885MLYCD 2823/4885MEN1 3868/4885

“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.