SCHEMBL19079785

SCHEMBL19079785

CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CCC3

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.78
▸ POLB P06746 6/20 0.71
▸ TDP1 Q9NUW8 6/20 0.71
▸ RECQL P46063 3/20 0.71
▸ NR4A1 P22736 2/20 0.71
▸ PTPN7 P35236 2/20 0.71
▸ APEX1 P27695 1/20 0.71
▸ APOBEC3A P31941 1/20 0.71
▸ APOBEC3G Q9HC16 1/20 0.71
▸ L3MBTL1 Q9Y468 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67

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
SCHEMBL24169178 0.98 RXFP1 (0.81) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL19079784 0.91 POLB (0.71) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL19079788 0.91 L3MBTL1 (0.77) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL19079783 0.89 PDE4D (0.80) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL13856555 0.83 POLB (1.00) POLBTDP1RECQLNR4A1PTPN7
SCHEMBL19079786 0.82 PDE4D (0.72) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL19079843 0.81 PDE4D (0.87) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL19088672 0.79 RXFP1 (0.85) RXFP1POLBTDP1RECQLNR4A1
SCHEMBL19079780 0.79 RXFP1 (0.67) RXFP1MAPTMEN1MAPK1KMT2A
SCHEMBL19079779 0.79 RXFP1 (0.84) RXFP1POLBTDP1RECQLNR4A1

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 RXFP1 381/4885POLB 2192/4885TDP1 265/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A RXFP1 381/4885POLB 2192/4885TDP1 265/4885

“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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