SCHEMBL20161973

SCHEMBL20161973

C/C(=C\S)c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ACHE P22303 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KCNK3 O14649 2/20 0.42
▸ KCNK9 Q9NPC2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL11787753 0.83 PARP1 (0.52) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL11787750 0.83 PARP1 (0.52) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL23252520 0.79 PARP1 (0.48) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL18175060 0.78 PARP1 (0.62) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL25599133 0.78 PARP1 (0.47) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL30451881 0.76 PARP1 (0.50) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL28539262 0.76 PARP1 (0.50) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL11849384 0.76 PARP1 (0.46) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL11849390 0.76 PARP1 (0.46) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL18132904 0.76 PARP1 (0.42) PARP1HDAC8HDAC6ACHESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 — — US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 PARP1 272/4885HDAC8 1789/4885HDAC6 800/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PARP1 4318/4885HDAC8 1676/4885HDAC6 237/4885

“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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