SCHEMBL22787167

SCHEMBL22787167

C/C(=N\NC(=O)CC(C)(C)S)c1ccc(OCCCC(=O)O)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MITF O75030 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LTB4R Q15722 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL22787129 1.00 LMNA (0.37) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL29526048 1.00 LMNA (0.37) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL22773547 0.84 LMNA (0.35) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL22773545 0.84 LMNA (0.35) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL22787131 0.84 LMNA (0.35) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL22787135 0.83 LMNA (0.32) LMNASMN1; SMN2HTT
SCHEMBL22787195 0.83 LMNA (0.39) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL22773528 0.83 KMT2A (0.41) LMNAHTTKDM4EALDH1A1GAA
SCHEMBL22787130 0.83 LMNA (0.39) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL22787185 0.83 KMT2A (0.41) LMNAHTTKDM4EALDH1A1GAA

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 845/4885SMN1; SMN2 4447/4885HTT 1360/4885

“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