SCHEMBL13210583

SCHEMBL13210583

CC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.79
▸ POLB P06746 2/20 0.79
▸ KMT2A Q03164 7/20 0.74
▸ MEN1 O00255 5/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ LMNA P02545 1/20 0.74
▸ NPC1 O15118 6/20 0.68
▸ RAB9A P51151 6/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ P4HTM Q9NXG6 2/20 0.65
▸ TP53 P04637 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.57
▸ MAPK1 P28482 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL13210545 0.88 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL13210529 0.84 RAB9A (0.71) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL13210704 0.84 KMT2A (0.81) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL6450945 0.82 KMT2A (0.84) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL13210546 0.82 ALDH1A1 (0.70) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL13210581 0.81 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL30834320 0.81 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL5974770 0.81 KMT2A (0.73) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL5211749 0.80 RAB9A (0.74) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL15907194 0.80 ALDH1A1 (0.53) ALDH1A1POLBKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 — — US disclosed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 — — US 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-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE CBR3, CYCS, CYC1 ALDH1A1 3151/4885POLB 3734/4885KMT2A 2067/4885

“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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