SCHEMBL21119013

SCHEMBL21119013

CCC(C)(C)CCNCCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 2/20 0.40
PAOX Q6QHF9 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20333683 0.84 CARM1 (0.45) SMN1; SMN2KDM1AMEN1KMT2AALDH1A1
SCHEMBL2994842 0.84 SMN1; SMN2 (0.44) SMN1; SMN2KDM1APAOXCYP2D6MEN1
SCHEMBL23183525 0.83 ACE2 (0.42) SMN1; SMN2KDM1AMEN1KMT2AALDH1A1
SCHEMBL21120600 0.83 CARM1 (0.44) KDM1AALDH1A1CA12CA1CA2
SCHEMBL12838847 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL20332563 0.81 MEN1 (0.45) SMN1; SMN2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL4401738 0.80 CA12 (0.53) SMN1; SMN2KDM1APAOXALDH1A1CA12
SCHEMBL14805807 0.79 PAOX (0.49) SMN1; SMN2KDM1APAOXCYP2D6MEN1
SCHEMBL18410958 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL13520192 0.78 TSHR (0.49) SMN1; SMN2KDM1APAOXCYP2D6ALDH1A1

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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 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 SMN1; SMN2 4652/4885KDM1A 3944/4885PAOX 1249/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 SMN1; SMN2 3388/4885KDM1A 1102/4885PAOX 3639/4885

“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.