SCHEMBL3337029

SCHEMBL3337029

O=C(NCCO)c1cscn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
MAP3K5 Q99683 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
PIM1 P11309 1/20 0.40
DPP4 P27487 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.39
GRM4 Q14833 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3338965 0.89 HDAC3 (0.53) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL29509654 0.86 MAP3K5 (0.50) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL24915784 0.86 HDAC3 (0.53) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL10708899 0.86 KDM4E (0.52) KDM4EHDAC3HDAC1MAP3K5HDAC6
Hydrochloric Acid SCHEMBL29810474 0.84 HDAC3 (0.52) KDM4EHDAC3HDAC1MAP3K5HDAC6
Hydrochloric Acid SCHEMBL10709333 0.84 HDAC3 (0.52) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL9329327 0.84 HDAC3 (0.44) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL10244671 0.83 KDM4E (0.52) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL15296759 0.83 HDAC3 (0.54) KDM4EHDAC3HDAC1MAP3K5HDAC6
SCHEMBL9014099 0.82 ALOX15 (0.47) KDM4EHDAC3HDAC1MAP3K5HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
WO-2023033129-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER 東レ株式会社 2023-03-09 WO disclosed
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
EP-0300400-B1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-16 EP disclosed
CN-1021046-C PREPARING METHOD FOR NITRIC ESTER DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1993-06-02 CN disclosed
US-5010093-A Vasodilators; cardiovascular disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-04-23 US disclosed
US-4923886-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-08 US disclosed
CN-1031226-A Nitrate derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1989-02-22 CN disclosed
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP 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 KDM4E 3386/4885HDAC3 722/4885HDAC1 440/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KDM4E 2518/4885HDAC3 570/4885HDAC1 499/4885

“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.