SCHEMBL18024022

SCHEMBL18024022

C#Cc1nc2ccccc2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
PDE10A Q9Y233 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.46
MBNL1 Q9NR56 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
STAT3 P40763 2/20 0.44
NQO2 P16083 3/20 0.42
CYP1A2 P05177 4/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TTR P02766 1/20 0.37
TLR8 Q9NR97 1/20 0.37
HTR3A P46098 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
SCHEMBL31314315 0.81 TDP1 (0.53) TDP1PDE10AALDH1A1HPGDGLA
SCHEMBL4744938 0.81 TDP1 (0.53) TDP1PDE10AALDH1A1HPGDGLA
SCHEMBL6576499 0.78 ALDH1A1 (0.43) TDP1PDE10AALDH1A1HPGDGLA
SCHEMBL18024097 0.77 TDP1 (0.49) TDP1PDE10AALDH1A1HPGDGLA
SCHEMBL20333700 0.75 TDP1 (0.47) TDP1PDE10AALDH1A1HPGDGLA
SCHEMBL15940677 0.74 ALDH1A1 (0.47) TDP1PDE10AALDH1A1HPGDGLA
SCHEMBL21121987 0.74 PDE2A (0.34)
SCHEMBL11594354 0.74 MAPT (0.53) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL3422125 0.73 ALDH1A1 (0.49) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL422035 0.73 ALDH1A1 (0.63) TDP1PDE10AALDH1A1HPGDGLA

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 12 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
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-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 TDP1 3790/4885PDE10A 4495/4885ALDH1A1 3264/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R TDP1 3790/4885PDE10A 4495/4885ALDH1A1 3264/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R TDP1 3790/4885PDE10A 4495/4885ALDH1A1 3264/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R TDP1 3790/4885PDE10A 4495/4885ALDH1A1 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.