SCHEMBL21844010

SCHEMBL21844010

CC(S)NC1(C(N)=O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
MME P08473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8193648 0.85 ALDH1A1 (0.50) ALDH1A1CYP2D6KDM4EKMT2AMME
SCHEMBL12869546 0.83 ALDH1A1 (0.49) ALDH1A1CYP2D6KDM4EKMT2AMME
SCHEMBL12870586 0.81 ALDH1A1 (0.50) ALDH1A1CYP2D6KDM4EKMT2A
SCHEMBL12258804 0.79 ALDH1A1 (0.51) ALDH1A1CYP2D6KDM4EKMT2ASMN1; SMN2
SCHEMBL21844029 0.78 MME (0.34) MMESMN1; SMN2
SCHEMBL23513623 0.78 MME (0.33) MME
SCHEMBL21083984 0.72 KMT2A (0.37) ALDH1A1CYP2D6KDM4EKMT2ASMN1; SMN2
SCHEMBL13448658 0.72 KDM4E (0.65) ALDH1A1CYP2D6KDM4EKMT2ASMN1; SMN2
SCHEMBL7876466 0.71 ALDH1A1 (0.46) ALDH1A1CYP2D6KDM4EKMT2A
SCHEMBL5240027 0.71 KDM4E (0.63) ALDH1A1CYP2D6KDM4EKMT2A

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-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP2D6 4268/4885KDM4E 3751/4885

“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.