SCHEMBL5494560

SCHEMBL5494560

O=C(NCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.68
LMNA P02545 5/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX2 P34913 5/20 0.54
CD274 Q9NZQ7 1/20 0.53
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2C19 P33261 1/20 0.51
STAT3 P40763 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5492780 0.83 LMNA (0.58) RAB9ALMNAKMT2ASMN1; SMN2EPHX2
SCHEMBL2974364 0.83 LMNA (0.58) RAB9ALMNAKMT2ASMN1; SMN2MAPT
SCHEMBL30416070 0.78 EPHX2 (0.83) LMNASMN1; SMN2EPHX2CD274MAPT
SCHEMBL11005634 0.78 KCNMA1 (0.66) RAB9AKMT2AMAPTMEN1STAT3
SCHEMBL2964824 0.76 LMNA (0.62) LMNAKMT2ASMN1; SMN2EPHX2CD274
SCHEMBL15717137 0.75 RAB9A (0.64) RAB9ALMNAKMT2ASMN1; SMN2MAPT
SCHEMBL29689487 0.75 RAB9A (0.64) RAB9ALMNAKMT2ASMN1; SMN2MAPT
SCHEMBL5247238 0.75 RAB9A (0.70) RAB9ALMNAKMT2ASMN1; SMN2MAPT
SCHEMBL13219988 0.74 LMNA (0.57) LMNAKMT2ASMN1; SMN2EPHX2CD274
SCHEMBL30417071 0.73 ALDH1A1 (0.76) LMNAKMT2ASMN1; SMN2EPHX2MAPT

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 RAB9A 3546/4885LMNA 1675/4885KMT2A 1204/4885

“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.