SCHEMBL22787131

SCHEMBL22787131

C/C(=N/NC(=O)CC(C)(C)S)c1cnc(OCCCC(=O)O)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ LTB4R Q15722 1/20 0.30

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
SCHEMBL22773547 1.00 LMNA (0.35) LMNASMN1; SMN2HTTGFERKMT2A
SCHEMBL22773545 1.00 LMNA (0.35) LMNASMN1; SMN2HTTGFERKMT2A
SCHEMBL22787185 0.84 KMT2A (0.41) LMNAHTTGFERKMT2AKDM4E
SCHEMBL22773528 0.84 KMT2A (0.41) LMNAHTTGFERKMT2AKDM4E
SCHEMBL22787130 0.84 LMNA (0.39) LMNASMN1; SMN2HTTKMT2AKDM4E
SCHEMBL22773527 0.84 KMT2A (0.41) LMNAHTTGFERKMT2AKDM4E
SCHEMBL22787195 0.84 LMNA (0.39) LMNASMN1; SMN2HTTKMT2AKDM4E
SCHEMBL22787167 0.84 LMNA (0.37) LMNASMN1; SMN2HTTGFERKMT2A
SCHEMBL22787129 0.84 LMNA (0.37) LMNASMN1; SMN2HTTGFERKMT2A
SCHEMBL29526048 0.84 LMNA (0.37) LMNASMN1; SMN2HTTGFERKMT2A

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.

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