SCHEMBL6403381

SCHEMBL6403381

[CH2]CN(C)CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
USP2 O75604 3/20 0.53
EGFR P00533 2/20 0.49
MAPT P10636 6/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
AGTR1 P30556 1/20 0.46
GSK3B P49841 2/20 0.45
PTPN1 P18031 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL25576274 0.82 KMT2A (0.58) KMT2AALDH1A1KDM4EUSP2EGFR
SCHEMBL28159725 0.82 KMT2A (0.58) KMT2AALDH1A1KDM4EUSP2EGFR
SCHEMBL182321 0.79 ALDH1A1 (0.78) KMT2AALDH1A1KDM4EUSP2EGFR
SCHEMBL12352714 0.79 KMT2A (0.59) KMT2AALDH1A1KDM4EUSP2EGFR
SCHEMBL6401147 0.79 KMT2A (0.59) KMT2AALDH1A1KDM4EUSP2EGFR
SCHEMBL13889650 0.79 KMT2A (0.55) KMT2AALDH1A1KDM4EUSP2MEN1
SCHEMBL6398922 0.78 KMT2A (0.58) KMT2AALDH1A1KDM4EUSP2EGFR
SCHEMBL7472642 0.78 KMT2A (0.68) KMT2AALDH1A1KDM4EUSP2MAPT
Hydrochloric Acid SCHEMBL28169240 0.78 SMN1; SMN2 (0.56) KMT2AALDH1A1KDM4EUSP2MEN1
Bromide SCHEMBL7249768 0.78 ALDH1A1 (0.75) KMT2AALDH1A1KDM4EUSP2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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 (1 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KMT2A 2222/4885ALDH1A1 1862/4885KDM4E 1902/4885

“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.