SCHEMBL3331881

SCHEMBL3331881

Nc1ncc(/C=C\SC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ NOS1 P29475 1/20 0.30

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
SCHEMBL3331883 1.00 KIF11 (0.33) KIF11KDM4ENPC1ALDH1A1POLB
SCHEMBL3334158 0.81 KIF11 (0.35) KIF11
SCHEMBL3334153 0.81 KIF11 (0.35) KIF11
SCHEMBL3334713 0.75 KIF11 (0.38) KIF11KDM4ENPC1ALDH1A1RAB9A
SCHEMBL10369915 0.73 KDM4E (0.51) KDM4ENPC1ALDH1A1POLBRAB9A
SCHEMBL10369913 0.73 KDM4E (0.51) KDM4ENPC1ALDH1A1POLBRAB9A
SCHEMBL9877794 0.70 HCAR2 (0.43) KIF11NPC1ALDH1A1RAB9A
SCHEMBL9877796 0.70 HCAR2 (0.43) KIF11NPC1ALDH1A1RAB9A
SCHEMBL9624192 0.69 NPC1 (0.54) NPC1RAB9A
SCHEMBL9624194 0.69 NPC1 (0.54) NPC1RAB9A

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 KIF11 3795/4885KDM4E 3386/4885NPC1 1629/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KIF11 4452/4885KDM4E 2518/4885NPC1 1742/4885

“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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