SCHEMBL25567869

SCHEMBL25567869

COc1cc(CCNCCC(N)=O)c(C)cc1N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.38
▸ SLC2A1 P11166 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 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
SCHEMBL25280473 0.77 HTR2A (0.63) HTR2A
SCHEMBL20232078 0.71 TAAR1 (0.48) CYP3A4PKM
SCHEMBL16428954 0.71 SMN1; SMN2 (0.44) SMN1; SMN2HTR2AKMT2A
SCHEMBL18159270 0.69 MAPT (0.38) SMN1; SMN2KMT2AMEN1CYP3A4PKM
SCHEMBL7175921 0.68 PLAAT3 (0.54) SLC2A1SMN1; SMN2KMT2AMEN1
SCHEMBL18829988 0.67 GAA (0.49) KMT2AMEN1CYP3A4LMNA
SCHEMBL18159078 0.67 MTNR1A (0.41) CYP2C9CYP2C19
SCHEMBL23048383 0.66 PDE3B (0.50) SMN1; SMN2CYP3A4
SCHEMBL15797275 0.64 KDM4E (0.66) KMT2AHTTLMNA
SCHEMBL8080817 0.63 L3MBTL1 (0.56) KMT2AMEN1CYP3A4HTTLMNA

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-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 — — 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-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK ALK, ERBB2, PDGFRB CD274 2241/4885SLC2A1 4487/4885SMN1; SMN2 811/4885

“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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