SCHEMBL19079828

SCHEMBL19079828

C=C(C)Cn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCOC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ CREBBP Q92793 1/20 0.60
▸ CNR1 P21554 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ PDE4D Q08499 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR4A1 P22736 2/20 0.45
▸ RECQL P46063 2/20 0.45

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
SCHEMBL19079709 0.90 TSHR (0.77) TSHRMAPK1CREBBPCNR1SMN1; SMN2
SCHEMBL19079830 0.83 PDE4D (0.79) TSHRCNR1SMN1; SMN2PDE4DTP53
SCHEMBL19079715 0.82 PDE4D (0.69) TSHRMAPK1CREBBPCNR1SMN1; SMN2
SCHEMBL19079825 0.81 CREBBP (0.63) TSHRMAPK1CREBBPSMN1; SMN2TP53
SCHEMBL19079829 0.81 PDE4D (0.79) TSHRMAPK1CNR1SMN1; SMN2PDE4D
SCHEMBL19079714 0.81 PDE4D (0.67) TSHRMAPK1CREBBPSMN1; SMN2PDE4D
SCHEMBL19079849 0.79 PDE4D (0.65) TSHRMAPK1CREBBPCNR1SMN1; SMN2
SCHEMBL19079848 0.77 PDE4D (0.62) TSHRMAPK1CREBBPCNR1SMN1; SMN2
SCHEMBL19079672 0.77 TSHR (1.00) TSHRMAPK1CREBBPSMN1; SMN2MAPT
SCHEMBL19079673 0.76 HTT (0.58) TSHRMAPK1CREBBPTP53RXFP1

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 916/4885CREBBP 527/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A TSHR 3082/4885MAPK1 916/4885CREBBP 527/4885

“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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