SCHEMBL3097108

SCHEMBL3097108

O=C(NCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.62
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TGM2 P21980 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ KEAP1 Q14145 2/20 0.54
▸ NFE2L2 Q16236 2/20 0.54
▸ MAPT P10636 2/20 0.53
▸ FOLH1 Q04609 3/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL26634636 0.95 TGM2 (0.60) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL22984651 0.85 HTT (0.63) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL13092424 0.83 LMNA (0.55) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL18254066 0.82 HTT (0.81) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL19606708 0.82 HTT (0.59) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL17532634 0.81 LMNA (0.79) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL9874334 0.81 HTT (0.79) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL15346534 0.81 HTT (0.79) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL9340146 0.81 HTT (0.79) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL5116844 0.80 HTT (0.68) HTTLMNASMN1; SMN2TGM2L3MBTL1

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-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-10-07 — — US disclosed
EP-2188296-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-05-26 — — EP disclosed
WO-2009029844-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-05 — — 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-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS WAPL, WDR1, DUSP1 HTT 3824/4885LMNA 4125/4885SMN1; SMN2 3533/4885

“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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