SCHEMBL3759125

SCHEMBL3759125

Cc1cccc(C(S)=C(S)c2ccccc2)c1.Cc1cccc(C(S)=C(S)c2ccccc2)c1.[Ni]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 3/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KAT6A Q92794 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FAAH O00519 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
SCHEMBL19662378 0.98 SMN1; SMN2 (0.53) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL3759037 0.94 PARP1 (0.54) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL2883723 0.76 CA2 (0.58) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL6429964 0.76 CA2 (0.58) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL2883726 0.76 CA2 (0.58) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL6314224 0.76 SMN1; SMN2 (0.57) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL6312819 0.76 SMN1; SMN2 (0.57) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL8205347 0.75 HDAC8 (0.46) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL1411275 0.74 PARP1 (0.63) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL14344773 0.74 PARP1 (0.52) SMN1; SMN2POLBPARP1MEN1KMT2A

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-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 — — US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 — — 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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 SMN1; SMN2 1452/4885POLB 1693/4885PARP1 917/4885

“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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