SCHEMBL4069709

SCHEMBL4069709

COc1cc(O)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.64
MAPT P10636 5/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
G6PD P11413 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL13557412 0.87 TPMT (0.66) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL9657631 0.87 MAPT (0.56) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL15199259 0.84 GPR35 (0.56) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL31447509 0.82 TPMT (0.64) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL8680266 0.82 TPMT (0.64) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL11141699 0.82 MAPT (0.49) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL2402093 0.81 GPR35 (0.61) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL2086471 0.81 TPMT (0.62) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL5038570 0.80 MAPT (0.54) TPMTMAPTMAPK1KDM4EMEN1
SCHEMBL15872024 0.80 MAPK1 (0.50) TPMTMAPTMAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211900-B2 DHFR enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2012-07-03 US disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
EP-2013189-A1 DHFR ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007132146-A1 DHFR ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-22 WO disclosed
WO-2007129020-A1 PYRIMIDINE DERIVATIVES USEFUL AS DHFR INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 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-20090118311-A1 DHFR Enzyme Inhibitors DHFR, MTHFD1, ALDH7A1 TPMT 248/4885MAPT 4527/4885MAPK1 2571/4885

“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.