SCHEMBL17468521

SCHEMBL17468521

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ KCNK3 O14649 2/20 0.36
▸ KCNK9 Q9NPC2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34

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
SCHEMBL23260541 0.84 PARP1 (0.47) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL23320218 0.78 PARP1 (0.37) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL17034487 0.78 PARP1 (0.42) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL24711679 0.77 PARP1 (0.48) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL20037381 0.75 HDAC8 (0.43) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL23319685 0.71 KDM4E (0.34) PARP1HDAC8HDAC6HPGDTDP1
SCHEMBL15471903 0.71 PARP1 (0.46) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL11787750 0.70 PARP1 (0.52) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL11787753 0.70 PARP1 (0.52) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL15472207 0.70 PARP1 (0.41) PARP1HDAC8HDAC6SMN1; SMN2HPGD

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-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 — — US disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 — — 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 (1 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-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 PARP1 3070/4885HDAC8 1774/4885HDAC6 284/4885

“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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