SCHEMBL18024049

SCHEMBL18024049

Clc1ccc2cc(OCCCN3CCOCC3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.56
HRH3 Q9Y5N1 6/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.51
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51

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
SCHEMBL18024166 0.92 MIF (0.58) MIFALDH1A1KDM4ENPC1ACHE
SCHEMBL17980736 0.83 TSHR (0.58) MIFALDH1A1KDM4ENPC1FGFR1
SCHEMBL18024111 0.82 MIF (0.59) MIFHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL17980792 0.82 MIF (0.54) MIFHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL18024088 0.80 MIF (0.52) MIFHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL21348742 0.80 SIGMAR1 (0.45) MIFHRH3ALDH1A1SIGMAR1KDM4E
SCHEMBL28431203 0.79 EHMT2 (0.64) HRH3KCNH2FGFR1SRC
SCHEMBL15260249 0.78 ALDH1A1 (0.57) HRH3ALDH1A1MAPK1SIGMAR1CYP1A2
SCHEMBL20333260 0.78 MIF (0.52) MIFHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL2436023 0.78 HRH3 (0.54) MIFHRH3ALDH1A1MAPK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP 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-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
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 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 (4 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 MIF 1/4885HRH3 2066/4885ALDH1A1 3264/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R MIF 1/4885HRH3 2066/4885ALDH1A1 3264/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R MIF 1/4885HRH3 2066/4885ALDH1A1 3264/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R MIF 1/4885HRH3 2066/4885ALDH1A1 3264/4885

“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.