SCHEMBL5795584

SCHEMBL5795584

CCOC(=O)CC(=O)c1cccn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MGAM O43451 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL7390055 0.94 MAOB (0.43) MAOBKDM4ENPC1RAB9AL3MBTL1
SCHEMBL2399420 0.80 NPC1 (0.57) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL28929654 0.79 LMNA (0.43) KDM4ENPC1RAB9AL3MBTL1GAA
SCHEMBL6990088 0.78 NPC1 (0.57) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8392453 0.77 MAOB (0.57) MAOBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10919254 0.77 NPC1 (0.47) MAOBKDM4ENPC1RAB9AL3MBTL1
SCHEMBL25062709 0.74 NPC1 (0.45) MAOBKDM4ENPC1RAB9AALDH1A1
SCHEMBL8575841 0.74 ALDH1A1 (0.44) MAOBKDM4ENPC1RAB9AL3MBTL1
SCHEMBL11149230 0.74 NPC1 (0.43) MAOBKDM4ENPC1RAB9AL3MBTL1
SCHEMBL11728742 0.74 MAOB (0.54) MAOBNPC1RAB9AL3MBTL1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 — — US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO disclosed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 — — US disclosed
US-4256759-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-17 — — 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 (3 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 MAOB 2503/4885KDM4E 2874/4885NPC1 648/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 MAOB 3097/4885KDM4E 2261/4885NPC1 1906/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A MAOB 2379/4885KDM4E 245/4885NPC1 3863/4885

“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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