SCHEMBL29979387

SCHEMBL29979387

Nc1cc([N+](=O)[O-])ccc1N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
ALDH1A1 P00352 12/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 4/20 0.61
POLB P06746 2/20 0.60
APEX1 P27695 1/20 0.60
CASP6 P55212 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP2C9 P11712 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2D6 P10635 1/20 0.57
MCOLN3 Q8TDD5 1/20 0.57
MAPT P10636 2/20 0.56

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
SCHEMBL23043630 1.00 GAA (0.69) GAAALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL839543 0.98 GAA (0.67) GAAALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1969337 0.84 SIRT6 (0.58) GAAALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1842961 0.84 ADRB1 (0.58) GAAALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3252577 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNAPOLBAPEX1
SCHEMBL6811691 0.82 GAA (0.71) GAAALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL3738174 0.82 GAA (1.00) GAAALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL9404875 0.82 POLB (0.51) GAAALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL31177578 0.82 ALDH1A1 (0.68) GAAALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL14707194 0.81 GAA (0.69) GAAALDH1A1SMN1; SMN2LMNAPOLB

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 GAA 154/4885ALDH1A1 1368/4885SMN1; SMN2 41/4885

“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.