SCHEMBL19079875

SCHEMBL19079875

C=CCn1c(SCC(=O)c2ncc[nH]2)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ BACE1 P56817 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ NPSR1 Q6W5P4 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ PKM P14618 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL19079700 0.84 TSHR (0.63) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079701 0.84 SMN1; SMN2 (0.65) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079710 0.84 TSHR (0.62) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079782 0.83 TSHR (0.73) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079669 0.83 SMN1; SMN2 (0.76) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19090776 0.82 RXFP1 (0.65) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079778 0.82 RXFP1 (0.64) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079780 0.82 RXFP1 (0.67) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL3914072 0.81 PDE4D (0.77) TSHRMAPK1SMN1; SMN2KMT2ACA1
SCHEMBL19079713 0.80 SMN1; SMN2 (0.69) TSHRMAPK1SMN1; SMN2KMT2ACA1

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 TSHR 3082/4885MAPK1 916/4885SMN1; SMN2 4025/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A TSHR 3082/4885MAPK1 916/4885SMN1; SMN2 4025/4885

“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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