SCHEMBL3728595

SCHEMBL3728595

COc1ccccc1Cc1ccc(Cl)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KDM4E B2RXH2 3/20 0.53
IDO1 P14902 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAP2 P11137 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
ANO1 Q5XXA6 2/20 0.46
ANO2 Q9NQ90 1/20 0.46
MAPK8 P45983 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.45
SLC6A2 P23975 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
SCHEMBL11824037 0.89 GAA (0.62) GAAKDM4EIDO1MEN1KMT2A
SCHEMBL15540355 0.85 HPGD (0.53) KDM4EIDO1LMNAPARP14PARP10
SCHEMBL11821332 0.81 KDM4E (0.59) GAAKDM4EIDO1MEN1KMT2A
SCHEMBL4626572 0.79 IDO1 (0.62) GAAKDM4EIDO1MEN1KMT2A
Hydrochloric Acid SCHEMBL3726624 0.77 IDO1 (0.54) GAAKDM4EIDO1MEN1KMT2A
SCHEMBL726267 0.77 MAPT (0.60) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL31207306 0.77 MAPT (0.60) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL3091346 0.77 KMT2A (0.54) KDM4EMEN1KMT2ALMNAPARP14
SCHEMBL28348830 0.77 HPGD (0.50) KDM4EIDO1MEN1KMT2ALMNA
SCHEMBL3251926 0.77 IDO1 (0.57) GAAKDM4EIDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825126-B2 Purine derivatives as A3 and A1 adenosine receptor agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND H (MD) 2007-10-04 US disclosed
EP-1794162-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2007-06-13 EP disclosed
WO-2006031505-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-03-23 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-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists ADORA1, ADORA3, ADORA2A GAA 3476/4885KDM4E 4565/4885IDO1 3225/4885

“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.