SCHEMBL3791892

SCHEMBL3791892

CC(=O)Nc1ccc(Cl)c(NC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ PYGL P06737 1/20 0.59
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ RORC P51449 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ATAD2 Q6PL18 1/20 0.51
▸ CECR2 Q9BXF3 1/20 0.51
▸ EPHX1 P07099 1/20 0.50
▸ ESRRA P11474 1/20 0.50

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
SCHEMBL8919414 0.89 HTT (0.54) ALDH1A1PYGLKMT2ARORCSMN1; SMN2
SCHEMBL11636304 0.85 ALDH1A1 (0.58) ALDH1A1PYGLKMT2AMEN1SMN1; SMN2
SCHEMBL7936658 0.85 KMT2A (0.54) ALDH1A1PYGLKMT2AMEN1RORC
SCHEMBL3786387 0.85 CA1 (0.58) ALDH1A1KMT2AMEN1RORCSMN1; SMN2
SCHEMBL14341158 0.84 PYGL (0.50) ALDH1A1PYGLKMT2AMEN1RORC
SCHEMBL9472463 0.84 PYGL (0.50) ALDH1A1PYGLKMT2AMEN1RORC
SCHEMBL22092486 0.84 SLC6A3 (0.63) ALDH1A1PYGLKMT2AMEN1SMN1; SMN2
SCHEMBL4548035 0.84 EPHX1 (0.70) KMT2AMEN1RORCSMN1; SMN2MAPT
SCHEMBL3249655 0.83 ALDH1A1 (0.73) ALDH1A1PYGLKMT2AMEN1MAPT
SCHEMBL2388970 0.82 EPHX1 (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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 3 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
EP-0473552-A1 Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY AG (CH) 1992-03-04 — — 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 ALDH1A1 4339/4885PYGL 3727/4885KMT2A 1474/4885

“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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