SCHEMBL1793306

SCHEMBL1793306

C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)Nc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.51
KMT2A Q03164 11/20 0.51
MYC P01106 8/20 0.49
IDO1 P14902 4/20 0.49
MAX P61244 4/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
OPRK1 P41145 1/20 0.47
GSTM2 P28161 1/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PSMD14 O00487 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL3506039 0.79 MEN1 (0.64) MEN1KMT2AMYCIDO1MAX
SCHEMBL30520963 0.75 MEN1 (0.57) MEN1KMT2AMYCIDO1MAX
SCHEMBL12337785 0.74 IDO1 (0.60) MEN1KMT2AMYCIDO1MAX
SCHEMBL31071735 0.73 IDO1 (0.46) MEN1KMT2AMYCIDO1MAX
SCHEMBL21783942 0.73 GSTM2 (0.56) MEN1KMT2AMYCIDO1MAX
SCHEMBL18894373 0.73 GSTM2 (0.50) MEN1KMT2AMYCIDO1MAX
SCHEMBL612306 0.72 IDO1 (0.65) MEN1KMT2AMYCIDO1MAX
SCHEMBL9099360 0.72 MEN1 (0.64) MEN1KMT2AMYCIDO1MAX
SCHEMBL1071570 0.72 MYC (0.55) MEN1KMT2AMYCIDO1MAX
SCHEMBL8790979 0.71 MEN1 (0.55) MEN1KMT2AMYCIDO1MAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180011100-A1 METHODS OF SELECTING AND ISOLATING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-11 US claimed
WO-2016073737-A1 METHODS OF SELECTING AND ISOLATING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-12 WO claimed
US-20180011100-A1 METHODS OF SELECTING AND ISOLATING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-11 US disclosed
WO-2016073737-A1 METHODS OF SELECTING AND ISOLATING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-12 WO disclosed
US-7943586-B2 Antineoplastic agents targeted via glut transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-05-17 US disclosed
US-20080269112-A1 Antineoplastic Agents Targeted via Glut Transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-30 US disclosed
US-20060171893-A1 Antineoplastic agents targeted via glut transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-08-03 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 (2 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-20060171893-A1 Antineoplastic agents targeted via glut transporters SLC2A1, SLC2A2, SLC2A4 MEN1 3856/4885KMT2A 1041/4885MYC 147/4885
US-20080269112-A1 Antineoplastic Agents Targeted via Glut Transporters SLC2A1, SLC2A2, SLC2A4 MEN1 3253/4885KMT2A 1941/4885MYC 326/4885

“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.