SCHEMBL246056

SCHEMBL246056

O=c1[nH]c2ccc(OC3CCCCO3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NOS1 P29475 1/20 0.42
SMYD3 Q9H7B4 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CREBBP Q92793 1/20 0.39
ALPL P05186 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM1A O60341 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OGT O15294 1/20 0.36
ENPP2 Q13822 2/20 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
SCHEMBL19139451 0.92 NOS1 (0.46) MAPTNOS1SMYD3GRIN2DGRIN3B
SCHEMBL26107118 0.74 MAOA (0.45) MAPTALPLKDM4EALDH1A1MAOB
SCHEMBL2895090 0.74 SLC6A4 (0.56) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2895084 0.74 SLC6A4 (0.56) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2895085 0.74 SLC6A4 (0.56) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12510619 0.74 HSD11B1 (0.42) DHFR
SCHEMBL3500438 0.73 TNK2 (0.44) KDM4EALDH1A1SMN1; SMN2DHFR
SCHEMBL17260660 0.73 NFE2L2 (0.48) MAPTPDE3BPDE3AKDM1AENPP2
SCHEMBL14478988 0.72 MAOA (0.64) KDM4EALDH1A1MAOBMAOA
SCHEMBL16963882 0.72 NOS1 (0.59) NOS1CREBBPALPLPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820253-A 3, 6-disubstituted benzothiazole compound and synthesis and application thereof 西北农林科技大学 2024-04-05 CN 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-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-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 US disclosed
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 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
WO-2011140202-A2 MIF MODULATORS YALE UNIVERSITY (US) 2011-11-10 WO disclosed
EP-2326631-A2 MIF MODULATORS Yale University (US) 2011-06-01 EP 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
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 (7 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 3356/4885NOS1 492/4885SMYD3 3536/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NOS1 492/4885SMYD3 3536/4885
US-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NOS1 492/4885SMYD3 3536/4885
US-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NOS1 492/4885SMYD3 3536/4885
US-20100267714-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NOS1 492/4885SMYD3 3536/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 MAPT 3356/4885NOS1 492/4885SMYD3 3536/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPT 3356/4885NOS1 492/4885SMYD3 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.