SCHEMBL20733276

SCHEMBL20733276

NCCCNCCCN1CCCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 3/20 0.36
CASP2 P42575 2/20 0.36
CA12 O43570 2/20 0.36
F13A1 P00488 2/20 0.36
CA2 P00918 2/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
THPO P40225 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1421683 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C19MAPTCYP2C9
SCHEMBL8048986 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP2C19MAPTCYP2C9
SCHEMBL4419515 0.82 FAAH (0.39) SMN1; SMN2KMT2AMEN1MAPTTSHR
SCHEMBL20733272 0.80 PIK3CD (0.44) SMN1; SMN2KMT2ACASP2CA12F13A1
SCHEMBL1446337 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C19MAPTCYP2C9
SCHEMBL20733275 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL12385867 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMAPTALDH1A1KDM4E
SCHEMBL259671 0.77 ACE2 (0.47) KMT2ACA12CYP1A2CA6CA7
SCHEMBL4467977 0.76 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMAPTALDH1A1KDM4E
SCHEMBL22662832 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ACYP1A2MEN1CYP2C19

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-20200361910-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-11-19 US disclosed
WO-2019030197-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-02-14 WO 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-20200361910-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES HRH3, HRH4, HRH1 SMN1; SMN2 4684/4885KMT2A 2885/4885CASP2 3246/4885

“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.