SCHEMBL22787137

SCHEMBL22787137

C/C(=N/NC(=O)CC(C)(C)S)c1ccc(OCCCC(=O)ON2C(=O)CCC2=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PDE3B Q13370 2/20 0.30
▸ PDE3A Q14432 2/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ P2RY12 Q9H244 1/20 0.30
▸ HPGD P15428 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
SCHEMBL22787189 0.89 — —
SCHEMBL18037721 0.88 MAPT (0.42) LMNASMN1; SMN2HTTKMT2APOLB
SCHEMBL17231868 0.88 MAPT (0.42) LMNASMN1; SMN2HTTKMT2APOLB
SCHEMBL12679101 0.88 MAPT (0.42) LMNASMN1; SMN2HTTKMT2APOLB
SCHEMBL22787132 0.87 LMNA (0.31) LMNASMN1; SMN2HTT
SCHEMBL22787135 0.86 LMNA (0.32) LMNASMN1; SMN2HTT
SCHEMBL21098757 0.84 LMNA (0.42) LMNASMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL21052222 0.84 LMNA (0.42) LMNASMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL22787195 0.83 LMNA (0.39) LMNASMN1; SMN2HTTKDM4EKMT2A
SCHEMBL22787130 0.83 LMNA (0.39) LMNASMN1; SMN2HTTKDM4EKMT2A

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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