SCHEMBL246445

SCHEMBL246445

c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
KDM4E B2RXH2 5/20 0.69
HSD17B10 Q99714 1/20 0.69
MAPK1 P28482 1/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 5/20 0.61
PDE6D O43924 1/20 0.61
ALDH2 P05091 1/20 0.61
ALDH3A1 P30838 1/20 0.61
METAP2 P50579 1/20 0.60
METAP1 P53582 1/20 0.60
BRD4 O60885 3/20 0.59
KCNH2 Q12809 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
TNF P01375 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL10443835 0.92 NPSR1 (0.65) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL10443834 0.89 MAPT (0.61) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL8944506 0.84 KDM4E (0.62) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL229709 0.83 KDM4E (0.68) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL2610128 0.83 KDM4E (0.67) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL15559304 0.82 MAPK1 (0.58) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL9041589 0.81 KDM4E (0.59) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL9622725 0.81 METAP2 (0.68) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL21085204 0.80 KDM4E (0.64) MAPTNPSR1KDM4EHSD17B10MAPK1
SCHEMBL13451647 0.80 KDM4E (0.67) MAPTNPSR1KDM4EHSD17B10MAPK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-20120040974-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-02-16 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
WO-2011140202-A2 MIF MODULATORS YALE UNIVERSITY (US) 2011-11-10 WO disclosed
CN-102186833-A MIF modulators UNIV YALE 2011-09-14 CN disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
WO-2010021693-A2 MIF MODULATORS YALE UNIVERSITY (US) 2010-02-25 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 (8 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-20120040974-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-20100267714-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NPSR1 354/4885KDM4E 3588/4885

“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.