SCHEMBL5036302

SCHEMBL5036302

NNC(=O)CCc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
OPRD1 P41143 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
CASP3 P42574 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
SCHEMBL5036367 0.88 KMT2A (0.54) KMT2AEPHX2OPRD1ALDH1A1FABP7
SCHEMBL2631637 0.87 KMT2A (0.63) KMT2AEPHX2OPRD1CASP3
SCHEMBL24864773 0.83 KMT2A (0.52) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL2057615 0.83 KMT2A (0.55) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL14485271 0.83 KMT2A (0.59) KMT2AEPHX2CYP1A2CYP2D6CYP2C9
SCHEMBL31010055 0.83 KMT2A (0.55) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL27410574 0.83 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29904323 0.83 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL3177417 0.83 KMT2A (0.62) KMT2AEPHX2OPRD1FABP7FABP5
Hydrochloric Acid SCHEMBL14485267 0.82 KMT2A (0.57) KMT2AEPHX2CYP1A2CYP2D6CYP2C9

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
EP-1896086-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
WO-2007005491-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-01-11 WO disclosed
WO-2007005491-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-01-11 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-20070014721-A1 Hydrazide conjugates as imaging agents CA14, CA13, CA1 KMT2A 2223/4885EPHX2 675/4885CYP1A2 4588/4885

“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.