SCHEMBL6400029

SCHEMBL6400029

COc1ccc(C(=O)CN2C[CH]CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
LMNA P02545 2/20 0.63
KDM4E B2RXH2 1/20 0.63
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
NPC1 O15118 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL6396604 0.83 KMT2A (0.62) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL7208414 0.81 GRIN2B (0.47) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL15935698 0.81 ALDH1A1 (0.94) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL6399622 0.80 TSHR (0.52) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL6400119 0.80 CYP19A1 (0.44) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL15503835 0.80 ALDH1A1 (0.97) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL6398248 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL4874455 0.79 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4873274 0.78 ALDH1A1 (0.71) ALDH1A1LMNAKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL3844533 0.77 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EKMT2AMEN1

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-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-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 ALDH1A1 1862/4885LMNA 3637/4885KDM4E 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.