SCHEMBL19079772

SCHEMBL19079772

CC(C1CC1)n1c(SCC(=O)Nc2ccc(Cl)cn2)nc2sccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ AHR P35869 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ SLC22A12 Q96S37 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL19079721 0.91 POLB (0.45) POLBMAPTHTTSLC22A12
SCHEMBL19079681 0.87 POLB (0.50) KMT2APOLBMEN1MAPTSLC22A12
SCHEMBL19079727 0.84 CYP1A2 (0.50) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL19079722 0.81 POLB (0.47) POLBSLC22A12
SCHEMBL19079731 0.81 POLB (0.53) ALDH1A1POLBMAPTSLC22A12
SCHEMBL19079683 0.79 APOBEC3A (0.52) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL933702 0.62 GAA (0.76) KMT2AALDH1A1POLBAHRMEN1
SCHEMBL11887682 0.61 AHR (0.67) KMT2AALDH1A1POLBAHRMEN1
SCHEMBL20964577 0.61 RAB9A (0.75) ALDH1A1MAPTHTT
SCHEMBL19079883 0.60 USP2 (0.52) KMT2AALDH1A1POLBMEN1SLC22A12

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 KMT2A 3118/4885ALDH1A1 1503/4885POLB 2192/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A KMT2A 3118/4885ALDH1A1 1503/4885POLB 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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