SCHEMBL21843807

SCHEMBL21843807

CC(S)Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ GAA P10253 3/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ STAT3 P40763 1/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ KCNQ3 O43525 1/20 0.46

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
SCHEMBL13034793 0.88 MAPT (0.54) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL25525694 0.84 RAB9A (0.51) MAPTGAAKMT2AKDM4ESMN1; SMN2
SCHEMBL2790485 0.80 MAPT (0.58) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL12763799 0.79 MAPT (0.51) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL23266880 0.78 ALDH1A1 (0.52) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL16864479 0.77 MAPT (0.54) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL21917393 0.77 MAPT (0.54) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL24590133 0.77 MAPT (0.54) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL50482 0.74 MAPT (0.69) MAPTGAACYP1A2MEN1KMT2A
SCHEMBL1911473 0.74 ALDH1A1 (0.55) MAPTGAACYP1A2MEN1KMT2A

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 MAPT 1087/4885GAA 1088/4885CYP1A2 2946/4885

“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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