SCHEMBL3333612

SCHEMBL3333612

OCc1csc(/C=C\SC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ PTGER3 P43115 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ AHR P35869 1/20 0.31

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
SCHEMBL3333618 1.00 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3329337 0.83 HDAC1 (0.34) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3329333 0.83 HDAC1 (0.34) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3331216 0.78 KDM4E (0.38) HDAC1HDAC6
SCHEMBL3331218 0.78 KDM4E (0.38) HDAC1HDAC6
SCHEMBL3333277 0.77 HIF1A (0.43) HDAC1HDAC6HDAC8
SCHEMBL3331614 0.76 HTR2B (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3331617 0.76 HTR2B (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3338137 0.74 HIF1A (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3332730 0.74 KIF11 (0.32) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 — — US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 — — US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 — — US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 — — EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 — — 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT HDAC1 440/4885HDAC6 550/4885HDAC3 722/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HDAC1 499/4885HDAC6 380/4885HDAC3 570/4885

“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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