SCHEMBL19079673

SCHEMBL19079673

C=C(C)Cn1c(SCC(=O)N2CCOCC2)nc2sccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.58
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ HSP90AB1 P08238 1/20 0.48
▸ TSHR P16473 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ HPGD P15428 1/20 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
SCHEMBL19079674 0.80 PDE4D (0.64) HTTMEN1KMT2AALDH1A1HIF1A
SCHEMBL19079689 0.78 PDE4D (0.65) HTTALDH1A1TSHRGAAMAPK1
SCHEMBL19079709 0.76 TSHR (0.77) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL19079828 0.76 TSHR (0.63) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL19079858 0.72 TP53 (0.53) HTTMEN1KMT2AALDH1A1TSHR
SCHEMBL19079876 0.69 MEN1 (0.45) HTTMEN1KMT2AALDH1A1TSHR
SCHEMBL19079714 0.68 PDE4D (0.67) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL19079715 0.67 PDE4D (0.69) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL19079883 0.67 USP2 (0.52) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL19079774 0.66 ALDH1A1 (0.74) HTTKMT2AALDH1A1TSHRGAA

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 HTT 3953/4885MEN1 1826/4885KMT2A 3118/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A HTT 3953/4885MEN1 1826/4885KMT2A 3118/4885

“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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