SCHEMBL2272841

SCHEMBL2272841

COC(=O)C1(c2ccc(Nc3nc(NC4CCCC4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.39
▸ TRPV1 Q8NER1 4/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ KARS1 Q15046 1/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MERTK Q12866 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
SCHEMBL2270579 0.89 NPY5R (0.41) TRPV1BRD4NPY5RSYKPDE4B
SCHEMBL2268687 0.85 BRD4 (0.38) TRPV1BRD4KARS1MEN1KMT2A
SCHEMBL2270382 0.85 PDE4B (0.38) TRPV1BRD4KARS1SYKSMN1; SMN2
SCHEMBL2269536 0.83 PDE4B (0.38) TRPV1BRD4KARS1SYKSMN1; SMN2
SCHEMBL2266566 0.82 PDE4B (0.40) TRPV1BRD4KARS1MEN1MAPT
SCHEMBL2268242 0.82 MERTK (0.45) BRD4SYKMEN1KMT2AMERTK
SCHEMBL2266569 0.81 PDE4B (0.39) TRPV1BRD4KARS1MAPTSMN1; SMN2
SCHEMBL2271101 0.80 PDE4B (0.41) TRPV1KARS1MAPTSMN1; SMN2NPSR1
SCHEMBL2268692 0.79 PDE4B (0.37) TRPV1BRD4KARS1MAPTSMN1; SMN2
SCHEMBL2265561 0.79 BRD4 (0.40) BRD4SYKMAPTSMN1; SMN2PDE4B

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
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
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO 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 SHMT2 3271/4885TRPV1 3823/4885BRD4 33/4885

“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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