SCHEMBL29319690

SCHEMBL29319690

N[C@H]1CC[C@H](NC(=S)C23CC4CC(c5ccccc5)(CC(C2)C4SCc2ccccc2)C3)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
SMYD3 Q9H7B4 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL29319901 0.90 CHRM2 (0.33) KDM1AMAOBKMT2AMEN1MAPT
SCHEMBL29319680 0.90 KDM1A (0.37) KDM1AMAOBMAOASMYD3LMNA
SCHEMBL29319677 0.86 KDM1A (0.39) KDM1AMAOBMAOASMYD3LMNA
SCHEMBL24138700 0.86 KDM1A (0.32) KDM1AMAOBMAOAKMT2AMEN1
SCHEMBL29319708 0.85 KDM1A (0.36) KDM1AMAOBMAOASMYD3
SCHEMBL29319685 0.85 KDM1A (0.36) KDM1AMAOBMAOASMYD3
SCHEMBL29331405 0.85 KDM1A (0.36) KDM1AMAOBMAOAKMT2AMEN1
SCHEMBL24138773 0.83 KMT2A (0.38) KDM1AMAOBMAOAKMT2AMEN1
SCHEMBL29319675 0.82 EPHX2 (0.36) KDM1AMAOBMAOAKMT2AMEN1
SCHEMBL24139446 0.82 KDM1A (0.41) KDM1AMAOBMAOASMYD3LMNA

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-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 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-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 KDM1A 2593/4885MAOB 3347/4885MAOA 4330/4885

“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.