SCHEMBL2507592

SCHEMBL2507592

O=[N+]([O-])c1ccc(F)cc1Nc1cncc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EPAS1 Q99814 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH3A1 P30838 1/20 0.38
MAPK1 P28482 2/20 0.37
CASP7 P55210 1/20 0.37
EGFR P00533 1/20 0.36

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 0.88 ALDH1A1 (0.51) ALDH1A1HTTRAB9ATDP1ATM
SCHEMBL2501948 0.80 ALDH1A1 (0.56) ALDH1A1HTTRAB9ASMN1; SMN2TDP1
SCHEMBL11901468 0.79 HTT (0.61) ALDH1A1HTTRAB9ASMN1; SMN2TDP1
SCHEMBL2508268 0.78 ALDH1A1 (0.59) ALDH1A1HTTRAB9ATDP1ATM
SCHEMBL30378593 0.78 ALDH1A1 (0.59) ALDH1A1HTTRAB9ATDP1ATM
SCHEMBL2507274 0.77 EPAS1 (0.58) ALDH1A1HTTRAB9ASMN1; SMN2TDP1
SCHEMBL2503071 0.77 ALDH1A1 (0.55) ALDH1A1HTTRAB9ATDP1ATM
SCHEMBL11900742 0.77 ALDH1A1 (0.51) ALDH1A1HTTRAB9ATDP1ATM
SCHEMBL16487061 0.76 L3MBTL1 (0.60) ALDH1A1HTTSMN1; SMN2TDP1GAA
SCHEMBL31144749 0.76 ALDH1A1 (0.54) ALDH1A1HTTRAB9ATDP1ATM

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.