SCHEMBL3330470

SCHEMBL3330470

NC(=O)c1nc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)cs1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL3330466 1.00 KIF11 (0.34) KIF11CYP2D6CYP3A4CYP2C9SCN9A
SCHEMBL3331617 0.77 HTR2B (0.41) KIF11CYP2C9SCN9AHDAC1HDAC2
SCHEMBL3331614 0.77 HTR2B (0.41) KIF11CYP2C9SCN9AHDAC1HDAC2
SCHEMBL3334153 0.75 KIF11 (0.35) KIF11HDAC1HDAC2MAPTKMT2A
SCHEMBL3334158 0.75 KIF11 (0.35) KIF11HDAC1HDAC2MAPTKMT2A
SCHEMBL3329351 0.72 KDM4E (0.35) KIF11CYP2D6CYP1A2MAPTKMT2A
SCHEMBL3329349 0.72 KDM4E (0.35) KIF11CYP2D6CYP1A2MAPTKMT2A
SCHEMBL3331216 0.71 KDM4E (0.38) HDAC1KDM4E
SCHEMBL3331218 0.71 KDM4E (0.38) HDAC1KDM4E
SCHEMBL3332597 0.71 KIF11 (0.36) KIF11CYP1A2KMT2AKDM4E

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 3795/4885CYP2D6 1349/4885CYP3A4 1363/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KIF11 4452/4885CYP2D6 1823/4885CYP3A4 2134/4885

“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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