SCHEMBL3581504

SCHEMBL3581504

O=C(Nc1ccc(C(=O)O)c([N+](=O)[O-])c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 6/20 0.45
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
CASP3 P42574 1/20 0.39
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 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
SCHEMBL3208722 0.84 EPHX2 (0.67) EPHX2ALDH1A1KMT2AMEN1MAPT
SCHEMBL595196 0.82 EPHX2 (0.67) EPHX2ALDH1A1KMT2AMEN1MAPT
SCHEMBL569486 0.79 EPHX2 (0.60) EPHX2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL1453962 0.79 MAPT (0.47) EPHX2ALDH1A1KMT2AMEN1LMNA
SCHEMBL3579030 0.79 EPHX2 (0.41) EPHX2ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8366872 0.78 EPHX2 (0.75) EPHX2ALDH1A1KMT2AMEN1MAPT
SCHEMBL29561956 0.78 EPHX2 (0.63) EPHX2ALDH1A1KMT2AFABP7FABP5
SCHEMBL29401210 0.78 EPHX2 (0.63) EPHX2ALDH1A1KMT2AFABP7FABP5
SCHEMBL118052 0.78 EPHX2 (0.63) EPHX2ALDH1A1KMT2AFABP7FABP5
SCHEMBL118921 0.77 EPHX2 (0.73) EPHX2ALDH1A1KMT2AMEN1LMNA

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
EP-2150514-B1 18F-LABELLED FOLATES Merck & Cie (CH) 2018-10-24 EP disclosed
US-9771368-B2 18F-labelled folates Merck & Cie (CH) 2017-09-26 US disclosed
US-20160159802-A1 18F-LABELLED FOLATES Merck & Cie (CH) 2016-06-09 US disclosed
US-9315506-B2 18F-labelled folates Merck & Cie (CH) 2016-04-19 US disclosed
US-20100056533-A1 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2010-03-04 US disclosed
EP-2150514-A2 18F-LABELLED FOLATES Merck Eprova AG (CH) 2010-02-10 EP disclosed
WO-2008125617-A2 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2008-10-23 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 (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-20100056533-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 EPHX2 2090/4885ALDH1A1 1012/4885KMT2A 1304/4885
US-20160159802-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 EPHX2 2012/4885ALDH1A1 942/4885KMT2A 1210/4885

“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.