SCHEMBL3977005

SCHEMBL3977005

COC(=O)c1sccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
PTK2 Q05397 1/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.49
MAPK8 P45983 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
MAPK10 P53779 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL70575 0.86 KMT2A (0.56) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL1973549 0.83 KDM4E (0.57) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL2654173 0.83 KMT2A (0.54) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL25261430 0.82 HPGD (0.49) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL30511206 0.82 MAPK8 (0.49) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL25304281 0.81 KMT2A (0.51) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL28412622 0.80 KMT2A (0.50) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL2889862 0.80 MAPT (0.61) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL157777 0.79 HPGD (0.70) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL3375243 0.79 MAPT (0.55) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 CN disclosed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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 (1 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL ALDH1A1 297/4885KDM4E 2068/4885POLB 3880/4885

“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.