SCHEMBL6950828

SCHEMBL6950828

CCOC(=O)CNC(=O)N1CC1C#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ DPP4 P27487 7/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL11379880 0.81 MGAM (0.39) GAADPP4L3MBTL1TSHRMGAM
SCHEMBL6950171 0.79 KMT2A (0.44) DPP4DPP8DPP9
SCHEMBL11372100 0.79 ALDH1A1 (0.39) DPP4L3MBTL1POLBTSHRDPP8
SCHEMBL11197112 0.77 ALDH1A1 (0.41) GAADPP4KDM4ESMN1; SMN2TSHR
SCHEMBL11376700 0.77 ALDH1A1 (0.40) GAADPP4KDM4EL3MBTL1TSHR
SCHEMBL11387478 0.77 PREP (0.46) DPP4DPP8DPP9
SCHEMBL18629349 0.71 FKBP1A (0.40) GAADPP4EPHX2KDM4ESMN1; SMN2
SCHEMBL11143162 0.70 GSK3A (0.39) GAAKDM4EPOLBTSHRMGAM
SCHEMBL11378534 0.70 HCAR2 (0.44) DPP4TSHRDPP8
SCHEMBL11378167 0.70 DPP4 (0.47) GAADPP4SMN1; SMN2TSHRDPP8

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
EP-1027041-B1 NOVEL CYANOAZIRIDINES FOR TREATING CANCER AMPLIMED INC (US) 2003-10-22 — — EP disclosed
US-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer VALLEY VENTURES III, L.P. 2003-07-10 — — US disclosed
US-6297230-B1 N-CARBAMOYL-SUBSTITUTED AMPLIMED, INC. 2001-10-02 — — 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 (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-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer ABHD16A, PNLIP, LIPA GAA 830/4885DPP4 3112/4885EPHX2 871/4885

“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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