SCHEMBL25936148

SCHEMBL25936148

C=CC(=O)N1CCN(C(=O)CNc2cc(C)c(Cl)cc2OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.55
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL15337756 0.92 KRAS (0.60) KRASGAAKDM4ERAB9AMAPT
SCHEMBL22550951 0.91 KRAS (0.66) KRASGAASMN1; SMN2LMNAALDH1A1
SCHEMBL16122614 0.88 KRAS (0.54) KRASGAAKDM4EMAPTMEN1
SCHEMBL15337910 0.88 KRAS (0.72) KRASGAA
SCHEMBL16122615 0.87 KRAS (0.61) KRASGAASMN1; SMN2NPC1RAB9A
SCHEMBL19997011 0.86 GAA (0.43) KRASGAASMN1; SMN2LMNAALDH1A1
SCHEMBL16117734 0.86 KRAS (0.48) KRASGAAMAPTMEN1KMT2A
SCHEMBL15337927 0.85 KRAS (0.52) KRASGAASMN1; SMN2LMNAALDH1A1
SCHEMBL16122767 0.85 KRAS (0.54) KRASGAASMN1; SMN2LMNAALDH1A1
SCHEMBL16122818 0.85 KRAS (0.75) KRASGAANPC1RAB9AMAPT

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 2090/4885SMN1; SMN2 3432/4885

“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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