SCHEMBL22787158

SCHEMBL22787158

CC(C)(S)CC(=O)N/N=C1\CCCc2nc(OCCCC(=O)O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 6/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
GRK2 P25098 4/20 0.34
ROCK2 O75116 3/20 0.34
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
TYK2 P29597 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
SCHEMBL29814134 1.00 LMNA (0.36) LMNAGAAMAPTHTTKMT2A
SCHEMBL22787136 1.00 LMNA (0.36) LMNAGAAMAPTHTTKMT2A
SCHEMBL22787133 0.86 LMNA (0.33) LMNAGAAMAPTHTTKMT2A
SCHEMBL22787138 0.85 GRK2 (0.33) LMNAGAAGRK2ROCK2
SCHEMBL22787204 0.85 GRK2 (0.33) LMNAGAAGRK2ROCK2
SCHEMBL22787159 0.84 LTB4R (0.36) LMNAGAA
SCHEMBL22802046 0.81 MAPT (0.46) LMNAGAAMAPTHTTKMT2A
SCHEMBL21098730 0.81 MAPT (0.46) LMNAGAAMAPTHTTKMT2A
SCHEMBL22802047 0.81 MAPT (0.46) LMNAGAAMAPTHTTKMT2A
SCHEMBL21052015 0.79 MAPT (0.44) LMNAGAAMAPTHTTKMT2A

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 845/4885GAA 1198/4885MAPT 4186/4885

“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.