SCHEMBL5529943

SCHEMBL5529943

C=C(C)C(=O)OCC(O)C[N+](C)(C)C.C=CC(=O)NC(C)(C)CC[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL758168 0.80 KMT2A (0.49) MEN1KMT2ATSHRALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL192474 0.79 KMT2A (0.48) MEN1KMT2ATSHRALDH1A1CYP3A4
Bromide SCHEMBL9320690 0.79 KMT2A (0.48) MEN1KMT2ATSHRALDH1A1CYP3A4
Iodide SCHEMBL1255392 0.79 TSHR (0.57) MEN1KMT2ATSHRALDH1A1CYP2C9
Chloromethane SCHEMBL10796929 0.77 TSHR (0.55) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL758619 0.77 TSHR (0.59) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL22972950 0.76 TSHR (0.41) MEN1KMT2ATSHRALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL204258 0.76 TSHR (0.57) MEN1KMT2ATSHRALDH1A1
Fluoride Ion SCHEMBL1254970 0.76 TSHR (0.57) MEN1KMT2ATSHRALDH1A1CYP2C9
Bromide SCHEMBL1254317 0.76 TSHR (0.57) MEN1KMT2ATSHRALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852133-A2 Compositions with enhanced antimicrobial efficacy against acanthamoebae BAUSCH & LOMB INCORPORATED (US) 2007-11-07 EP disclosed
EP-1817059-A2 CONJUGATES OF 1,8-BIS-NAPHTHALIMIDES WITH AN ANTIBODY Genentech, Inc. (US) 2007-08-15 EP disclosed
US-20070134243-A1 Antibody drug conjugates and methods GENENTECH, INC. 2007-06-14 US disclosed
WO-2006060533-A2 CONJUGATES OF 1, 8-BIS-NAPHTHALIMIDES WITH AN ANTIBODY GENENTECH, INC. (US) 2006-06-08 WO 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-20070134243-A1 Antibody drug conjugates and methods BOD1L1, MKI67, CCNI MEN1 1674/4885KMT2A 1301/4885TSHR 2623/4885

“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.