SCHEMBL29978713

SCHEMBL29978713

Nc1ccccc1N1C(=O)CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
CASP6 P55212 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 7/20 0.49
KEAP1 Q14145 1/20 0.47
MEN1 O00255 5/20 0.45
GAA P10253 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ADRA2C P18825 1/20 0.40
USP2 O75604 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 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
SCHEMBL23043603 1.00 POLB (0.53) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL3211086 0.92 KMT2A (0.56) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL3380658 0.79 KMT2A (0.56) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL3381865 0.79 KMT2A (0.56) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL3382926 0.79 KMT2A (0.56) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL7787664 0.78 HSD17B10 (0.53) KMT2AKEAP1MEN1GAAKDM4E
SCHEMBL28834312 0.77 KEAP1 (0.53) KMT2AKEAP1MEN1GAAKDM4E
SCHEMBL719077 0.76 SMN1; SMN2 (0.62) POLBCASP6TDP1KMT2AMEN1
SCHEMBL11192399 0.75 GFER (0.44) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL6341570 0.75 TLR9 (0.52) POLBKMT2AMEN1SMN1; SMN2TP53

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 POLB 3846/4885APEX1 3382/4885CASP6 4587/4885

“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.