SCHEMBL14610740

SCHEMBL14610740

Nc1cc(Cl)ccc1Cn1cccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SNCA P37840 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39

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
SCHEMBL27956815 0.84 CYP3A4 (0.54) GAAMAPTBRD4PDE4BCYP3A4
SCHEMBL3809851 0.81 TP53 (0.45) GAAMAPTBRD4F2F10
SCHEMBL5299707 0.81 BRD4 (0.43) GAAMAPTBRD4HDAC1HDAC6
SCHEMBL28851379 0.81 GAA (0.46) GAAMAPTBRD4F2F10
SCHEMBL16403546 0.79 CA12 (0.51) GAAMAPTBRD4F2F10
SCHEMBL5301838 0.78 CCR1 (0.54) F2F10CYP3A4CYP2C9
SCHEMBL4857301 0.78 PDE4B (0.55) GAAMAPTBRD4PDE4BTDP1
SCHEMBL16403337 0.77 GAA (0.49) GAAMAPTBRD4F2F10
SCHEMBL16410194 0.76 GAA (0.48) GAAMAPTBRD4F2F10
SCHEMBL7445529 0.75 CCR1 (0.50) BRD4F2F10HTT

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-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 — — US disclosed
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 — — US disclosed
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 — — US disclosed
EP-3021673-A1 HETEROCYCLIC SULFONYLAMINO(THIO)CARBONYL-DERIVATIVES WITH NEMATICIDAL PROPERTIES Bayer CropScience Aktiengesellschaft (DE) 2016-05-25 — — EP disclosed
WO-2015007668-A1 HETEROCYCLIC SULFONYLAMINO(THIO)CARBONYL-DERIVATIVES WITH NEMATICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2015-01-22 — — WO disclosed
WO-2015007668-A1 HETEROCYCLIC SULFONYLAMINO(THIO)CARBONYL-DERIVATIVES WITH NEMATICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2015-01-22 — — WO disclosed
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 — — 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-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties TST, TUBB, TUBA3C GAA 2256/4885MAPT 4347/4885BRD4 2293/4885

“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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