SCHEMBL22787188

SCHEMBL22787188

C/C(=N/NC(=O)CC(C)(C)S)c1ncc(OCCCC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GFER P55789 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G4B P0C869 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GRK2 P25098 1/20 0.32

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
SCHEMBL22773536 1.00 LMNA (0.35) LMNAPOLBMAPK1CYP4F2CYP4A11
SCHEMBL22773537 1.00 LMNA (0.35) LMNAPOLBMAPK1CYP4F2CYP4A11
SCHEMBL24699977 0.90 LMNA (0.35) LMNAPOLBMAPK1CYP4F2CYP4A11
SCHEMBL22787195 0.86 LMNA (0.39) LMNAPOLBMAPK1CYP4F2CYP4A11
SCHEMBL29526638 0.86 LMNA (0.39) LMNAPOLBMAPK1CYP4F2CYP4A11
SCHEMBL22787130 0.86 LMNA (0.39) LMNAPOLBMAPK1CYP4F2CYP4A11
SCHEMBL12679100 0.83 MAPT (0.50) LMNAPOLBMAPK1KMT2AGAA
SCHEMBL17236156 0.83 MAPT (0.50) LMNAPOLBMAPK1KMT2AGAA
SCHEMBL16687019 0.83 MAPT (0.50) LMNAPOLBMAPK1KMT2AGAA
SCHEMBL22787189 0.82 — —

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-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-08-25 — — US disclosed
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 — — WO 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-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF AADAC, ACSL3, ACSL1 LMNA 845/4885POLB 1856/4885MAPK1 3790/4885

“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.

Send feedback