SCHEMBL3791414

SCHEMBL3791414

O=C(Nc1ccccc1)c1cccc(Cl)c1C(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 4/20 0.61
▸ KCNK3 O14649 1/20 0.60
▸ KCNK9 Q9NPC2 1/20 0.60
▸ JAK2 O60674 3/20 0.58
▸ TYK2 P29597 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ JAK1 P23458 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.58
▸ TAS1R1 Q7RTX1 1/20 0.58
▸ TAS1R2 Q8TE23 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HPGD P15428 2/20 0.56

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
SCHEMBL3478178 0.92 ALDH1A1 (0.61) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL28259296 0.92 ALDH1A1 (0.61) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL4154853 0.89 TYK2 (0.71) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL29493359 0.89 JAK2 (0.54) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL7188679 0.87 ALDH1A1 (0.68) CYP3A4ALDH1A1KMT2AMEN1TDP1
SCHEMBL1203522 0.85 SMO (0.80) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL4155586 0.84 JAK2 (0.73) SMOKCNK3KCNK9JAK2TYK2
Water SCHEMBL27602058 0.84 SMO (0.77) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL2168022 0.83 TYK2 (0.58) SMOKCNK3KCNK9JAK2TYK2
SCHEMBL5852388 0.83 KLKB1 (0.72) SMOKCNK3KCNK9JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SMO 842/4885KCNK3 2193/4885KCNK9 2467/4885

“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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