SCHEMBL30926130

SCHEMBL30926130

[2H]C([2H])([2H])n1cnnc1N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL30926135 0.86 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL10850393 0.68 PLD1 (0.38) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13749952 0.59 PDPK1 (0.48) ALDH1A1MAPK1PDPK1
SCHEMBL9540875 0.59 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
Hydrochloric Acid SCHEMBL29629263 0.58 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
SCHEMBL28290659 0.57 HRH4 (0.40) SMN1; SMN2ALDH1A1L3MBTL1KDM4EGLA
SCHEMBL14960628 0.56 LPO (0.41) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
SCHEMBL13959674 0.55 PDPK1 (0.44) PDPK1
SCHEMBL5366108 0.55 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL14868885 0.55 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPK1L3MBTL1HPGD

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-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 — — 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-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT SMN1; SMN2 1008/4885ALDH1A1 1661/4885MAPK1 2126/4885

“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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