SCHEMBL2270194

SCHEMBL2270194

O=C(O)C1(c2ccc(Nc3nc(Oc4ccccc4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ACHE P22303 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL2271693 0.91 PDE4B (0.45) PDE4BTRPV1SMN1; SMN2KMT2AMEN1
SCHEMBL2268330 0.82 PDE4B (0.66) PDE4BALDH1A1
SCHEMBL2267824 0.78 PDE4B (0.41) PDE4BTRPV1AKR1C1POLB
SCHEMBL2266722 0.78 IGF1R (0.45) PDE4BTRPV1ACHEBCHE
SCHEMBL2267381 0.77 TRPV1 (0.47) PDE4BTRPV1
SCHEMBL2270579 0.76 NPY5R (0.41) PDE4BTRPV1POLB
SCHEMBL2265557 0.76 PDE4B (0.54) PDE4BSMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL2267763 0.76 PDE4B (0.41) PDE4BTRPV1AKR1C1KMT2AMEN1
SCHEMBL2268706 0.75 PDE4B (0.53) PDE4BKMT2AMEN1
SCHEMBL2271739 0.75 PDE4B (0.61) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US claimed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US claimed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO claimed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — 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-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators GATAD2A, GATAD2B, RUNX1 PDE4B 1568/4885TRPV1 3823/4885AKR1C1 3977/4885

“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.

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