SCHEMBL29671544

SCHEMBL29671544

c1ccc(C2CCN(c3cscn3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.46
▸ MLYCD O95822 1/20 0.44
▸ MAPT P10636 3/20 0.41
▸ SLC18A3 Q16572 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2C9 P11712 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IP6K1 Q92551 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL29671509 0.91 NPC1 (0.46) DHFRMLYCDMAPTSLC18A3HRH3
SCHEMBL29671594 0.82 HRH3 (0.47) MAPTHRH3DRD2CYP1A2CYP2C9
SCHEMBL29671571 0.78 MAPT (0.52) DHFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19152335 0.75 HRH3 (0.48) MAPTHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL7446491 0.74 MBTD1 (0.55) DHFRSLC18A3GRIN2BDRD2CYP1A2
SCHEMBL28699866 0.73 DHFR (0.50) DHFRMLYCDMAPTSLC18A3GRIN2B
SCHEMBL23972249 0.72 GRIN2D (0.52) DHFRMLYCDMAPTHRH3GRIN2B
SCHEMBL11922648 0.72 HRH3 (0.40) MAPTHRH3CYP1A2NPC1RAB9A
SCHEMBL2393500 0.71 DHFR (0.55) DHFRMLYCDMAPTSLC18A3GRIN2B
SCHEMBL22117672 0.71 GRIN2B (0.51) DHFRMLYCDMAPTSLC18A3GRIN2B

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 — — 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G DHFR 4807/4885MLYCD 2756/4885MAPT 2487/4885

“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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