SCHEMBL3192308

SCHEMBL3192308

O=C(NCC1CCCCC1)c1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.62
MLYCD O95822 1/20 0.62
CA2 P00918 1/20 0.61
MMP13 P45452 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
NAMPT P43490 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL27627004 0.92 MAPK14 (0.52) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL10722498 0.88 HDAC6 (0.77) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL14797370 0.84 NAMPT (0.53) HDAC6MLYCDCA2KMT2AMEN1
SCHEMBL3039617 0.84 SMYD3 (0.53) HDAC6MLYCDCA2NAMPT
SCHEMBL25123079 0.83 SMN1; SMN2 (0.76) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL4522241 0.83 SMN1; SMN2 (0.76) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL8395225 0.83 SMN1; SMN2 (0.76) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL4627972 0.83 HDAC6 (0.55) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL8389571 0.82 HDAC6 (0.68) HDAC6MLYCDCA2MMP13KMT2A
SCHEMBL17483892 0.82 HDAC6 (0.70) HDAC6MLYCDCA2MMP13KMT2A

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
EP-3193603-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016040498-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives TEIJIN PHARMA LIMITED 2006-06-22 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-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 HDAC6 1671/4885MLYCD 4246/4885CA2 2437/4885

“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.