SCHEMBL25947445

SCHEMBL25947445

CCOC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
CYP2C19 P33261 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNF P01375 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
SCHEMBL30875689 0.97 ALDH1A1 (0.50) ALDH1A1CYP2C19LMNAHTTL3MBTL1
SCHEMBL11302461 0.97 ALDH1A1 (0.50) ALDH1A1CYP2C19LMNAHTTL3MBTL1
SCHEMBL3311892 0.93 ALDH1A1 (0.52) ALDH1A1CYP2C19LMNAHTTL3MBTL1
SCHEMBL14797532 0.86 ALDH1A1 (0.49) ALDH1A1CYP2C19LMNAHTTL3MBTL1
SCHEMBL28526142 0.85 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL14626974 0.82 L3MBTL1 (0.52) ALDH1A1CYP2C19LMNAL3MBTL1MAPT
SCHEMBL3726022 0.82 TSHR (0.49) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL7649624 0.82 SIRT6 (0.47) ALDH1A1LMNAMAPTKDM4ETDP1
SCHEMBL28619122 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C19LMNAHTTL3MBTL1
SCHEMBL2729882 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C19LMNAHTTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 ALDH1A1 2196/4885CYP2C19 3621/4885LMNA 2435/4885

“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.