SCHEMBL3759768

SCHEMBL3759768

O=C(O)Nc1nnc(-c2cccnc2)o1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.76
▸ EGFR P00533 1/20 0.76
▸ HTT P42858 4/20 0.70
▸ KDM4E B2RXH2 7/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ LMNA P02545 2/20 0.65
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KMT2A Q03164 1/20 0.52
▸ USP2 O75604 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
SCHEMBL18292548 0.84 KDM4E (0.64) PTGS2EGFRHTTKDM4ESMN1; SMN2
SCHEMBL17716968 0.81 KDM4E (0.83) PTGS2EGFRHTTKDM4ESMN1; SMN2
SCHEMBL17717011 0.79 KDM4E (0.76) PTGS2EGFRHTTKDM4ESMN1; SMN2
SCHEMBL2274986 0.78 NPC1 (0.76) HTTKDM4ESMN1; SMN2LMNAGAA
SCHEMBL1896591 0.77 STAT3 (0.82) PTGS2EGFRHTTKDM4ESMN1; SMN2
SCHEMBL13197417 0.77 NPC1 (0.74) PTGS2EGFRHTTKDM4ESMN1; SMN2
SCHEMBL27789999 0.76 FAAH (0.59) PTGS2EGFRKDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4929292 0.76 NPC1 (0.73) HTTKDM4ESMN1; SMN2LMNAGAA
SCHEMBL22589766 0.76 SMN1; SMN2 (0.67) PTGS2EGFRHTTKDM4ESMN1; SMN2
SCHEMBL12797730 0.76 NPC1 (0.73) PTGS2EGFRKDM4ESMN1; SMN2LMNA

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 — — US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 — — US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 — — 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 PTGS2 127/4885EGFR 4519/4885HTT 1945/4885

“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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