SCHEMBL2503071

SCHEMBL2503071

O=[N+]([O-])c1cc(F)ccc1Nc1cncc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH3A1 P30838 1/20 0.49
EPAS1 Q99814 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
KCNMA1 Q12791 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCAR3 P49019 1/20 0.42

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
SCHEMBL11901548 0.89 ALDH1A1 (0.51) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL16657380 0.82 ALDH1A1 (0.65) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL1337893 0.79 L3MBTL1 (0.68) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL30615587 0.78 ALDH3A1 (0.53) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL28495712 0.78 ALDH3A1 (0.53) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL2507592 0.77 ALDH1A1 (0.48) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL13937044 0.77 MAPT (0.63) ALDH1A1HTTRAB9AALDH3A1EPAS1
SCHEMBL2505880 0.75 EPAS1 (0.46) ALDH1A1HTTRAB9AEPAS1MEN1
SCHEMBL2506414 0.74 MAPK14 (0.42) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL2503937 0.73 MEN1 (0.44) ALDH1A1HTTRAB9AEPAS1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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 (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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ALDH1A1 3905/4885HTT 1338/4885RAB9A 2240/4885

“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.