SCHEMBL23456555

SCHEMBL23456555

CC(C)c1ccc2ccc(C(C)(C)C)nc2n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.32
▸ HMGCR P04035 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL23456596 0.83 TSHR (0.32) —
SCHEMBL12915444 0.83 NOS3 (0.33) HPGDS
SCHEMBL23456655 0.81 CCR1 (0.32) HMGCR
SCHEMBL1973219 0.74 ADRB1 (0.39) HMGCR
SCHEMBL12948520 0.74 CCR1 (0.41) —
SCHEMBL22521384 0.72 KDM4E (0.43) —
SCHEMBL11465342 0.72 NOS2 (0.39) —
SCHEMBL19000988 0.72 PDE2A (0.32) PDE2APDE10A
SCHEMBL10265563 0.71 CHRNA7 (0.36) HMGCR
SCHEMBL23896790 0.68 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161887-A1 Novel Hydrazone Derivatives For Preventing Or Treating EBV-Related Cancers UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2021-06-03 — — US 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-20210161887-A1 Novel Hydrazone Derivatives For Preventing Or Treating EBV-Related Cancers RB1, MALT1, NR3C1 HPGDS 3064/4885HMGCR 2234/4885PDE2A 4771/4885

“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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