SCHEMBL4893897

SCHEMBL4893897

N#CN(C(=N)NCCCCCCc1cnc2ccccc2c1)c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
HDAC3 O15379 5/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC4 P56524 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
TRPV1 Q8NER1 4/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6697201 0.81 HRH4 (0.37) NAMPTHRH4
SCHEMBL809903 0.76 NAMPT (0.46) FAAHHDAC3HDAC1HDAC4HDAC7
SCHEMBL504107 0.76 HRH4 (0.44) FAAHHDAC3HDAC1HDAC4HDAC7
SCHEMBL21171779 0.75 KDM4E (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6699717 0.73 CHRNB2 (0.41) FAAHKMT2ANAMPT
SCHEMBL11597016 0.71 CYP1A2 (0.50) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5265530 0.71 HRH4 (0.32) HRH4
SCHEMBL10772750 0.68 TRPV1 (0.46) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL272057 0.68 ALDH1A1 (0.47) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL8668667 0.67 CYP1A2 (0.44) HDAC3HDAC1HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 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-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 FAAH 567/4885HDAC3 1034/4885HDAC1 1457/4885

“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.