SCHEMBL25936091

SCHEMBL25936091

C=CC(=O)N1CCN(C(=O)CNc2ccc(Cl)cc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 5/20 0.56
▸ GAA P10253 2/20 0.48
▸ EGFR P00533 5/20 0.47
▸ ERBB2 P04626 4/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RBP4 P02753 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
SCHEMBL24460040 0.87 GAA (0.51) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL16122760 0.87 KRAS (0.53) KRASGAAEGFRERBB2MAPT
SCHEMBL16122813 0.87 KRAS (0.53) KRASGAAEGFRERBB2MAPT
SCHEMBL15337756 0.86 KRAS (0.60) KRASGAAEGFRERBB2MAPT
SCHEMBL16117760 0.84 KRAS (0.50) KRASGAAEGFRERBB2KMT2A
SCHEMBL25936101 0.83 KRAS (0.71) KRASGAAEGFRMAPTTSHR
SCHEMBL16122744 0.83 KRAS (0.49) KRASGAAEGFRERBB2ALDH1A1
SCHEMBL25936148 0.83 KRAS (0.55) KRASGAAMAPTALDH1A1KDM4E
SCHEMBL16122360 0.83 KRAS (0.57) KRASGAAEGFRERBB2MAPT
SCHEMBL16122614 0.82 KRAS (0.54) KRASGAAEGFRERBB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 — — 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS KRAS 1/4885GAA 2090/4885EGFR 201/4885

“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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