SCHEMBL19079681

SCHEMBL19079681

CC(C1CC1)n1c(SCC(=O)Nc2ccccn2)nc2sccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ SLC22A12 Q96S37 7/20 0.46
▸ PDE4D Q08499 1/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PKM P14618 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
SCHEMBL19079721 0.87 POLB (0.45) POLBSLC22A12PDE4DSMN1; SMN2LMNA
SCHEMBL19079727 0.87 CYP1A2 (0.50) POLBSLC22A12MEN1HPGDKMT2A
SCHEMBL19079772 0.87 KMT2A (0.47) POLBSLC22A12MEN1KMT2AMAPT
SCHEMBL19079731 0.85 POLB (0.53) POLBSLC22A12PDE4DLMNAMAPT
SCHEMBL19079722 0.83 POLB (0.47) POLBSLC22A12PDE4DLMNA
SCHEMBL19079683 0.81 APOBEC3A (0.52) POLBSLC22A12MEN1HPGDKMT2A
SCHEMBL19079691 0.63 PDE4D (1.00) POLBSLC22A12PDE4DTP53SMN1; SMN2
SCHEMBL21100125 0.62 GAA (0.69) POLBTDP1TP53MEN1USP2
SCHEMBL24029049 0.61 POLB (0.66) POLBTDP1SLC22A12PDE4DMEN1
SCHEMBL19079770 0.61 PDE4D (0.71) POLBTDP1SLC22A12PDE4DMEN1

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 POLB 2192/4885TDP1 265/4885SLC22A12 4750/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A POLB 2192/4885TDP1 265/4885SLC22A12 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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