SCHEMBL29979384

SCHEMBL29979384

C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.45
HTR1A P08908 2/20 0.43
CTPS1 P17812 1/20 0.43
GRM5 P41594 1/20 0.43
ACHE P22303 1/20 0.42
HSD11B1 P28845 1/20 0.42
MITF O75030 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL23057089 1.00 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL3436244 0.87 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL3436169 0.86 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL30784064 0.83 MAPT (0.60) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL3436179 0.83 KMT2A (0.56) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL3435503 0.82 HTT (0.51) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL2078646 0.82 HTT (0.51) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL2078649 0.82 HTT (0.51) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL3436184 0.81 LMNA (0.64) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL8259200 0.80 MAPT (0.60) ALDH1A1LMNAKMT2AHTTMAPT

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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 ALDH1A1 1368/4885LMNA 581/4885KMT2A 3579/4885

“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.