SCHEMBL19079769

SCHEMBL19079769

CC(C1CC1)n1c(SCC(=O)c2ccccc2)nc2sccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.68
▸ POLB P06746 4/20 0.51
▸ SLC22A12 Q96S37 5/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL19079731 0.82 POLB (0.53) PDE4DPOLBSLC22A12ALDH1A1LMNA
SCHEMBL19079681 0.81 POLB (0.50) PDE4DPOLBSLC22A12LMNAMAPT
SCHEMBL19079691 0.81 PDE4D (1.00) PDE4DPOLBSLC22A12ALDH1A1LMNA
SCHEMBL19079683 0.80 APOBEC3A (0.52) POLBSLC22A12ALDH1A1LMNAMAPT
SCHEMBL19079727 0.80 CYP1A2 (0.50) POLBSLC22A12ALDH1A1LMNAMAPT
SCHEMBL19079770 0.79 PDE4D (0.71) PDE4DPOLBSLC22A12ALDH1A1LMNA
SCHEMBL19079722 0.79 POLB (0.47) PDE4DPOLBSLC22A12LMNA
SCHEMBL19079891 0.79 ALDH1A1 (0.44) PDE4DPOLBALDH1A1LMNAMAPT
SCHEMBL19079721 0.77 POLB (0.45) PDE4DPOLBSLC22A12LMNAMAPT
SCHEMBL19079772 0.76 KMT2A (0.47) POLBSLC22A12ALDH1A1MAPTMEN1

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 PDE4D 6/4885POLB 2192/4885SLC22A12 4750/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885POLB 2192/4885SLC22A12 4750/4885

“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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