SCHEMBL6639136

SCHEMBL6639136

COc1cc(NC(=O)C[C@@H]2CC[C@@H](N)C2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6639133 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6639139 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6639898 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6639904 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6643676 0.86 SMN1; SMN2 (0.47) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6637979 0.80 ALDH1A1 (0.46) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6640729 0.78 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6640586 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6640588 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6643674 0.75 TDP1 (0.69) SMN1; SMN2POLBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 — — EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 — — US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 — — US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 — — 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 (2 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 SMN1; SMN2 4263/4885POLB 2053/4885ALDH1A1 208/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 SMN1; SMN2 4221/4885POLB 2045/4885ALDH1A1 264/4885

“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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