SCHEMBL13079880

SCHEMBL13079880

C=C/C=C/N(C(C)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
ALDH1A1 P00352 8/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 3/20 0.51
RECQL P46063 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 2/20 0.51
BLM P54132 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MITF O75030 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTNNB1 P35222 1/20 0.46
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.39

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
SCHEMBL11057810 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL273919 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13144272 0.79 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL11111820 0.78 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12597202 0.77 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL9194157 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL9194155 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL3248552 0.75 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL18920273 0.74 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL16160944 0.74 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297215-A1 COMPOSITIONS AND METHODS FOR PROTECTING CELLS DURING CANCER CHEMOTHERAPY AND RADIOTHERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-25 US disclosed
US-20090215108-A1 biochemical conjugate with a dye; biological substance peptide, protein, nucleotide, nucleic acid, carbohydrate, lipid, membrane or cell; detecting optical response upon use of an illumination source; use as luminescent probes valuable reagents for the analysis and separation of molecules and cells DIWU ZHENJUN 2009-08-27 US 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-20100297215-A1 COMPOSITIONS AND METHODS FOR PROTECTING CELLS DURING CANCER CHEMOTHERAPY AND RADIOTHERAPY UNG, GSTK1, GSTA1 KMT2A 4554/4885MEN1 3909/4885ALDH1A1 165/4885

“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.