SCHEMBL19079825

SCHEMBL19079825

O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCOC3)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.63
▸ TSHR P16473 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ ALDH1A1 P00352 7/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ RECQL P46063 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
SCHEMBL19079823 0.90 CREBBP (0.78) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079824 0.88 CREBBP (0.61) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079828 0.81 TSHR (0.63) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079735 0.80 PDE4D (0.56) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079674 0.74 PDE4D (0.64) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079672 0.72 TSHR (1.00) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079709 0.71 TSHR (0.77) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL4732712 0.70 ALDH1A1 (0.68) CREBBPALDH1A1KMT2AHPGDMEN1
SCHEMBL13962176 0.70 ALDH1A1 (0.68) CREBBPTSHRMAPK1ALDH1A1KMT2A
SCHEMBL19079747 0.69 KDM4E (0.75) TSHRMAPK1ALDH1A1KMT2AHPGD

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

“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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