SCHEMBL3575018

SCHEMBL3575018

O=C(O)N[C@@H]1CCCN(CCCc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 1/20 0.60
KAT2B Q92831 1/20 0.55
CHRNB2 P17787 4/20 0.53
CHRNA4 P43681 4/20 0.53
CHRNB4 P30926 3/20 0.53
CHRNA3 P32297 3/20 0.53
GAA P10253 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL1707811 0.84 SIGMAR1 (0.56) KDM4EKMT2AKAT2BCHRNB2CHRNA4
SCHEMBL1623588 0.84 ALDH1A1 (0.60) KDM4E
SCHEMBL5143427 0.84 ALDH1A1 (0.60) KDM4E
SCHEMBL7005697 0.80 KDM4E (0.75) KDM4EKMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL19049037 0.79 CCR1 (0.55) SIGMAR1
SCHEMBL20683848 0.78 SCNN1A (0.50) KDM4EKMT2AKAT2B
SCHEMBL10523377 0.78 KDM4E (0.61) KDM4EKMT2ASIGMAR1
SCHEMBL28802088 0.78 BCHE (0.51) KDM4E
SCHEMBL10523381 0.78 ALDH1A1 (0.68) KDM4EKMT2ASIGMAR1
SCHEMBL27430491 0.78 SIGMAR1 (0.79) SIGMAR1

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
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 KDM4E 450/4885KMT2A 67/4885KAT2B 23/4885

“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.