SCHEMBL5439441

SCHEMBL5439441

O=C(O)c1cc2c([nH]c3ccccc32)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
AHR P35869 2/20 0.46
MEN1 O00255 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRNA7 P36544 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL5436810 0.85 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL31628357 0.84 KIF11 (0.55) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL8506970 0.84 KIF11 (0.55) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL8507142 0.80 RXFP1 (0.47) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL27457013 0.78 KDM4E (0.54) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL8506829 0.78 PDE5A (0.53) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL8504232 0.77 KDM4E (0.40) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL31628536 0.77 KDM4E (0.40) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL29624610 0.76 MAPT (0.59) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL28661005 0.76 MAPT (0.59) KDM4EALDH1A1KMT2AHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750621-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1999-07-21 EP claimed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
EP-0750621-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1999-07-21 EP disclosed
CN-1144529-A Heterocyclic compounds, their preparation and use NOVO NORDISK AS (DK) 1997-03-05 CN disclosed
EP-0750621-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-01-02 EP disclosed
US-5536721-A Thieno[2,3-b-indole derivatives and their use for treating central nervous system diseases related to the metabotropic glutamate receptor system NOVO NORDISK A/S (DK) 1996-07-16 US disclosed
WO-1995025110-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-09-21 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 (2 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR KDM4E 4589/4885ALDH1A1 184/4885KMT2A 3513/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR KDM4E 4589/4885ALDH1A1 184/4885KMT2A 3513/4885

“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.