SCHEMBL3334713

SCHEMBL3334713

CN(C)C(=O)c1ncc(/C=C\SC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.38
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ ACSS2 Q9NR19 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
SCHEMBL3334153 0.84 KIF11 (0.35) KIF11KMT2AHDAC1HDAC2MAPT
SCHEMBL3334158 0.84 KIF11 (0.35) KIF11KMT2AHDAC1HDAC2MAPT
SCHEMBL3331881 0.75 KIF11 (0.33) KIF11RAB9AALDH1A1KDM4ENPC1
SCHEMBL3331883 0.75 KIF11 (0.33) KIF11RAB9AALDH1A1KDM4ENPC1
SCHEMBL3332677 0.75 KIF11 (0.37) KIF11MEN1KMT2AKDM4E
SCHEMBL13301119 0.72 HSD17B1 (0.31) HDAC3HDAC4HDAC6KMT2AHSD17B1
SCHEMBL3330273 0.72 NLRP3 (0.38) KIF11HDAC3HDAC4HDAC6RAB9A
SCHEMBL16742553 0.69 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL3335558 0.65 CDC7 (0.44) HDAC3HDAC4HDAC6MEN1KMT2A
SCHEMBL3335563 0.65 CDC7 (0.44) HDAC3HDAC4HDAC6MEN1KMT2A

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 4 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
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 3795/4885HDAC3 722/4885HDAC4 3161/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KIF11 4452/4885HDAC3 570/4885HDAC4 2836/4885

“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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