SCHEMBL2271693

SCHEMBL2271693

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.42
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ LMNA P02545 1/20 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

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
SCHEMBL2270194 0.91 PDE4B (0.47) PDE4BTRPV1MEN1KMT2AGAA
SCHEMBL2271739 0.85 PDE4B (0.61) PDE4B
SCHEMBL2267413 0.84 EGFR (0.43) PDE4BMEN1KMT2AGAAPOLB
SCHEMBL2266566 0.82 PDE4B (0.40) PDE4BTRPV1MEN1KMT2AGAA
SCHEMBL2271101 0.80 PDE4B (0.41) PDE4BTRPV1GAAALDH1A1KDM4E
SCHEMBL2270382 0.79 PDE4B (0.38) PDE4BTRPV1SMN1; SMN2LMNAHTR2A
SCHEMBL2273945 0.79 TRPV1 (0.46) TRPV1HTR2AHTR2CKARS1
SCHEMBL2270018 0.78 PDE4B (0.50) PDE4BMEN1KMT2AALDH1A1KDM4E
SCHEMBL13458852 0.78 ROCK2 (0.51) PDE4B
SCHEMBL2267799 0.77 PDE4B (0.49) PDE4BTRPV1POLBMAPTSMN1; SMN2

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 7 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 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 3823/4885MEN1 4331/4885

“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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