SCHEMBL8298573

SCHEMBL8298573

O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(-c2ccc3c(c2)COC3=O)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.61
▸ HPGD P15428 7/20 0.61
▸ MAPT P10636 7/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ GAA P10253 3/20 0.61
▸ KDM4E B2RXH2 11/20 0.56
▸ LMNA P02545 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ PRF1 P14222 1/20 0.40

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
SCHEMBL13567515 0.76 ALDH1A1 (0.73) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1435725 0.76 ALDH1A1 (0.73) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1435729 0.76 ALDH1A1 (0.73) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL12817961 0.73 ALDH1A1 (0.68) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL14761353 0.66 PRF1 (0.62) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL13090673 0.64 MAPT (0.59) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1435370 0.62 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1435373 0.62 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6721173 0.61 KDM4E (1.00) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL26434426 0.61 RAB9A (0.41) ALDH1A1HPGDMAPTMEN1KMT2A

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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 — — US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 — — US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 — — 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 ALDH1A1 1472/4885HPGD 1244/4885MAPT 1306/4885

“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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