SCHEMBL20333397

SCHEMBL20333397

CC(I)NCCCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
SCN5A Q14524 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL23977663 0.86 CARM1 (0.52) HRH3CARM1PRMT6PRMT8MAPT
SCHEMBL18568453 0.86 HRH3 (0.52) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL12309176 0.86 HRH3 (0.52) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL8258583 0.84 CARM1 (0.48) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL16311941 0.80 HRH3 (0.56) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL18286784 0.79 SMN1; SMN2 (0.43) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL20332904 0.79 HRH3 (0.45) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL18478189 0.78 HRH3 (0.52) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL28984365 0.77 SMN1; SMN2 (0.48) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL19091257 0.77 CARM1 (0.42) HRH3CARM1PRMT6PRMT8SMN1; SMN2

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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 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 (2 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885CARM1 2581/4885PRMT6 1317/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885CARM1 2581/4885PRMT6 1317/4885

“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.