SCHEMBL19079683

SCHEMBL19079683

CC(C1CC1)n1c(SCC(=O)NC2CCCCC2)nc2sccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ POLB P06746 3/20 0.51
▸ IGSF11 Q5DX21 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL19079727 0.83 CYP1A2 (0.50) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL19079722 0.82 POLB (0.47) POLBLMNASLC22A12
SCHEMBL19079731 0.81 POLB (0.53) POLBLMNARXFP1ALDH1A1SLC22A12
SCHEMBL19079721 0.80 POLB (0.45) POLBLMNAL3MBTL1SLC22A12SMN1; SMN2
SCHEMBL19079772 0.79 KMT2A (0.47) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL28732507 0.67 IGSF11 (1.00) APOBEC3AAPOBEC3GPOLBIGSF11LMNA
SCHEMBL19079770 0.62 PDE4D (0.71) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL19079691 0.61 PDE4D (1.00) POLBLMNAALDH1A1L3MBTL1GAA
SCHEMBL29548800 0.61 TLR4 (1.00) APOBEC3AAPOBEC3GIGSF11LMNAMEN1
SCHEMBL19079694 0.60 PDE4D (0.76) POLBLMNAALDH1A1GAASLC22A12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — 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 (2 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A APOBEC3A 2179/4885APOBEC3G 2184/4885POLB 2192/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A APOBEC3A 2179/4885APOBEC3G 2184/4885POLB 2192/4885

“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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