SCHEMBL520601

SCHEMBL520601

O=C(O)c1cccc([N+](=O)[O-])c1.O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.90
MGLL Q99685 1/20 0.68
RXFP1 Q9HBX9 1/20 0.67
PHGDH O43175 1/20 0.66
TP53 P04637 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 2/20 0.63
PKM P14618 1/20 0.63
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 1/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL520435 0.95 KDM4E (1.00) KDM4EMGLLRXFP1PHGDHRAB9A
SCHEMBL30568796 0.95 KDM4E (1.00) KDM4EMGLLRXFP1PHGDHRAB9A
SCHEMBL1199986 0.85 L3MBTL1 (0.64) KDM4ERAB9AKMT2APKMALDH1A1
SCHEMBL30577960 0.85 L3MBTL1 (0.64) KDM4ERAB9AKMT2APKMALDH1A1
SCHEMBL520448 0.85 RXFP1 (0.71) KDM4ERXFP1TP53KMT2AALDH1A1
SCHEMBL3086635 0.82 RXFP1 (0.81) KDM4EMGLLRXFP1TP53KMT2A
SCHEMBL1879807 0.82 RXFP1 (0.91) KDM4EMGLLRXFP1KMT2AALDH1A1
Fluoride SCHEMBL28228052 0.82 TP53 (0.96) KDM4ETP53RAB9AKMT2APKM
SCHEMBL4245858 0.81 HPGD (0.74) KDM4ERAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL14581172 0.81 KDM4E (0.74) KDM4EMGLLRXFP1PHGDHRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 KDM4E 192/4885MGLL 4358/4885RXFP1 3059/4885

“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.