SCHEMBL24476464

SCHEMBL24476464

Cn1c(=O)nc(O)c2[nH]c(CN3CCOCC3)nc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL3649360 0.80 POLB (0.61) ALDH1A1HPGDHSD17B10POLBCYP1A2
SCHEMBL24476462 0.77 POLB (0.41) ALDH1A1HSD17B10POLBCYP1A2CYP3A4
SCHEMBL24476465 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10POLBCYP1A2CYP3A4
SCHEMBL24476402 0.73 CYP3A4 (0.49) ALDH1A1HSD17B10POLBCYP1A2CYP3A4
SCHEMBL13996770 0.71 MEN1 (0.44) ALDH1A1HPGDHSD17B10GAAPOLB
SCHEMBL24476472 0.69 PDE2A (0.41) ALDH1A1HPGDPOLBCYP1A2CYP3A4
SCHEMBL24476814 0.65 CHRNB2 (0.37) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL13847837 0.64 TYMP (0.49) ALDH1A1HPGDHSD17B10GAAALOX15
SCHEMBL21637929 0.63 GAA (0.44) ALDH1A1GAAPOLBALOX15L3MBTL1
SCHEMBL23895391 0.63 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10GAACYP2C9

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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 — — 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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS ALDH1A1 4319/4885HPGD 1914/4885HSD17B10 3261/4885

“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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