SCHEMBL6396604

SCHEMBL6396604

Cc1ccc(C(=O)CN2C[CH]CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 7/20 0.47
GSK3B P49841 1/20 0.44
KDR P35968 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GRIN2B Q13224 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL7208414 0.85 GRIN2B (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6399622 0.84 TSHR (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6400119 0.84 CYP19A1 (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6398248 0.83 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1KDRMAPT
SCHEMBL6400029 0.83 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1GSK3BMAPT
SCHEMBL4936082 0.80 MEN1 (0.75) KMT2AMEN1ALDH1A1MAPTCYP1A1
SCHEMBL6403309 0.78 ALPG (0.64) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14924456 0.77 MEN1 (1.00) KMT2AMEN1ALDH1A1GSK3BKDR
SCHEMBL2616297 0.77 KMT2A (0.76) KMT2AMEN1ALDH1A1GSK3BKDR
SCHEMBL12947818 0.75 KMT2A (0.69) KMT2AMEN1ALDH1A1MAPTCYP3A4

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 2222/4885MEN1 3773/4885ALDH1A1 1862/4885

“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.