SCHEMBL6640469

SCHEMBL6640469

COc1cc(C(=O)NCC2CCC(C(N)=O)C2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.66
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44

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
SCHEMBL6640472 0.85 TDP1 (0.69) TDP1ABCG2MEN1KMT2ASIRT5
SCHEMBL6643674 0.85 TDP1 (0.69) TDP1ABCG2MEN1KMT2ASIRT5
SCHEMBL8595899 0.84 TDP1 (0.74) TDP1ABCG2MEN1KMT2ASIRT5
SCHEMBL6640992 0.84 ALDH1A1 (0.47) TDP1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3148208 0.80 TDP1 (1.00) TDP1ABCG2MEN1KMT2ASIRT5
Hydrochloric Acid SCHEMBL11714021 0.77 TDP1 (0.74) TDP1ABCG2MEN1KMT2ASIRT5
SCHEMBL6640560 0.76 TDP1 (0.58) TDP1ABCG2MEN1KMT2APOLB
SCHEMBL6640567 0.76 TDP1 (0.58) TDP1ABCG2MEN1KMT2APOLB
SCHEMBL6640024 0.76 HDAC3 (0.55) SMN1; SMN2
SCHEMBL4245813 0.75 TDP1 (0.64) TDP1ABCG2MEN1KMT2ASIRT5

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
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 — — EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 — — 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 TDP1 1950/4885ABCG2 6/4885MEN1 2632/4885

“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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