SCHEMBL19079844

SCHEMBL19079844

CCn1c(SCC(=O)N2CCCCC2C)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ POLB P06746 6/20 0.66
▸ TDP1 Q9NUW8 5/20 0.66
▸ RECQL P46063 3/20 0.66
▸ NR4A1 P22736 2/20 0.66
▸ PTPN7 P35236 2/20 0.66
▸ APEX1 P27695 1/20 0.66
▸ APOBEC3A P31941 1/20 0.66
▸ APOBEC3G Q9HC16 1/20 0.66
▸ THRB P10828 1/20 0.64
▸ MAPT P10636 4/20 0.62
▸ L3MBTL1 Q9Y468 4/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62

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
SCHEMBL19079842 0.90 PDE4D (0.63) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19079668 0.90 TSHR (0.68) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19079699 0.90 PDE4D (0.63) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19079866 0.90 PDE4D (0.63) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19079847 0.87 CREBBP (0.56) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL14478791 0.81 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL13856555 0.80 POLB (1.00) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19090635 0.79 TSHR (0.67) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19090740 0.79 PDE4D (0.62) ALDH1A1SMN1; SMN2POLBTDP1RECQL
SCHEMBL19079783 0.76 PDE4D (0.80) ALDH1A1SMN1; SMN2POLBTDP1RECQL

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 ALDH1A1 1503/4885SMN1; SMN2 4025/4885POLB 2192/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A ALDH1A1 1503/4885SMN1; SMN2 4025/4885POLB 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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