SCHEMBL3759037

SCHEMBL3759037

Cc1cccc(C(S)=C(S)c2cccc(C)c2)c1.Cc1cccc(C(S)=C(S)c2cccc(C)c2)c1.[Ni]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.54
▸ ACHE P22303 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RXFP1 Q9HBX9 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
SCHEMBL3759125 0.94 SMN1; SMN2 (0.52) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL19662378 0.91 SMN1; SMN2 (0.53) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL8205347 0.80 HDAC8 (0.46) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL14344773 0.79 PARP1 (0.52) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL1411275 0.79 PARP1 (0.63) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL19497030 0.76 PARP1 (0.48) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL7535322 0.75 PARP1 (0.58) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL4371423 0.75 PARP1 (0.58) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL27703309 0.74 PARP1 (0.63) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL18231528 0.74 PARP1 (0.52) PARP1ACHEHDAC8HDAC6SMN1; 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 3 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
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 — — WO 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 PARP1 917/4885ACHE 4210/4885HDAC8 3621/4885

“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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