SCHEMBL10148930

SCHEMBL10148930

O=C(Nc1nc(O)cc(O)n1)c1cc(O)cc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.52
HSD17B1 P14061 1/20 0.45
KMT2A Q03164 2/20 0.44
ADORA1 P30542 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5A P35218 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
DEGS1 O15121 2/20 0.37

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
SCHEMBL10149383 0.81 KMT2A (0.49) KMT2APOLBALDH1A1KDM4EMEN1
SCHEMBL9504179 0.79 ADORA1 (0.65) KMT2AADORA1MEN1MAPTADORA3
SCHEMBL10182485 0.75 KMT2A (0.46) KMT2APOLBALDH1A1TDP1KDM4E
SCHEMBL9505994 0.71 CYP1A2 (0.57) KMT2AADORA1POLBALDH1A1CA12
SCHEMBL9505940 0.71 PEPD (0.40) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL822059 0.70 ADORA1 (0.58) KMT2AADORA1MEN1ADORA3
SCHEMBL11172212 0.69 ADORA1 (0.56) KMT2AADORA1ALDH1A1MEN1MAPT
SCHEMBL8648142 0.69 FASN (0.54) NQO2KMT2ACA12CA1CA2
SCHEMBL16677942 0.68 KMT2A (0.69) KMT2APOLBALDH1A1TDP1KDM4E
SCHEMBL715515 0.68 NQO2 (1.00) NQO2KMT2APOLBALDH1A1CA12

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-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 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 (3 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NQO2 2288/4885HSD17B1 716/4885KMT2A 964/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NQO2 2288/4885HSD17B1 716/4885KMT2A 964/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NQO2 2288/4885HSD17B1 716/4885KMT2A 964/4885

“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.