SCHEMBL20328752

SCHEMBL20328752

CC(C)(C)CCNCCN1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
RAD52 P43351 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
POLB P06746 1/20 0.38
CXCR4 P61073 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
RECQL P46063 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
SCHEMBL845511 0.85 HSD17B10 (0.57) SIGMAR1HSD17B10CYP3A4CYP2D6MEN1
SCHEMBL20328749 0.84 CARM1 (0.50) SIGMAR1MEN1KMT2AACE2CARM1
SCHEMBL20332563 0.84 MEN1 (0.45) SIGMAR1HSD17B10CYP3A4CYP2D6MEN1
SCHEMBL29860764 0.83 HSD17B10 (0.55) SIGMAR1HSD17B10CYP3A4CYP2D6MEN1
SCHEMBL20328754 0.82 ACE2 (0.47) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20328751 0.82 CARM1 (0.48) SIGMAR1MEN1KMT2AALDH1A1ACE2
SCHEMBL22416418 0.80 HSD17B10 (0.48) HSD17B10CYP3A4CYP2D6MEN1KMT2A
SCHEMBL6051874 0.79 ACE2 (0.52) SIGMAR1HSD17B10CYP3A4CYP2D6MEN1
SCHEMBL2994842 0.79 SMN1; SMN2 (0.44) CYP2D6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2600051 0.79 SIGMAR1 (0.52) SIGMAR1HSD17B10MEN1KMT2AALDH1A1

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 7 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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
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
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 (5 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SIGMAR1 4096/4885HSD17B10 1796/4885CYP3A4 2573/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SIGMAR1 4096/4885HSD17B10 1796/4885CYP3A4 2573/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SIGMAR1 4096/4885HSD17B10 1796/4885CYP3A4 2573/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SIGMAR1 4096/4885HSD17B10 1796/4885CYP3A4 2573/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 SIGMAR1 4229/4885HSD17B10 2824/4885CYP3A4 3536/4885

“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.