SCHEMBL2556802

SCHEMBL2556802

O=C1C=C(NCc2ccccc2)C(=O)C=C1NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
POLB P06746 2/20 0.70
THRB P10828 2/20 0.70
KDM4E B2RXH2 1/20 0.70
NSD2 O96028 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
RAB9A P51151 1/20 0.70
GALK1 P51570 1/20 0.70
BLM P54132 1/20 0.70
PLEC Q15149 1/20 0.70
HKDC1 Q2TB90 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.49
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL10195778 0.83 MAPT (1.00) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL15690641 0.81 MAPT (0.78) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL30991482 0.81 MAPT (0.78) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL9334488 0.80 MEN1 (0.61) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL10700330 0.80 KMT2A (0.52) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL19409867 0.79 LMNA (0.47) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL2553876 0.77 LTA4H (0.57) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10719073 0.76 MEN1 (0.56) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL19409871 0.75 FFAR1 (0.48) MEN1KMT2APOLBTHRBKDM4E
SCHEMBL28378249 0.74 LMNA (0.57) MEN1KMT2APOLBTHRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011126544-A2 THYMOQUINONE ANALOGS FOR THE TREATMENT OF PANCREATIC CANCER WAYNE STATE UNIVERSITY (US) 2011-10-13 WO claimed
US-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives UNITED ARAB EMIRATES UNIVERSITY (AE) 2017-10-05 US disclosed
WO-2011126544-A2 THYMOQUINONE ANALOGS FOR THE TREATMENT OF PANCREATIC CANCER WAYNE STATE UNIVERSITY (US) 2011-10-13 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-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives BRCA1, BBOX1, KMO MEN1 863/4885KMT2A 184/4885POLB 1528/4885

“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.