SCHEMBL2018081

SCHEMBL2018081

O=Cc1c(Cl)cc(CO)c(-c2cccc(F)c2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.39
AR P10275 3/20 0.37
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
USP7 Q93009 1/20 0.33
PTGS2 P35354 1/20 0.32
ACLY P53396 1/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
DUSP3 P51452 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL15621301 0.81 AR (0.47) ARMEN1KMT2APTGS2ACLY
SCHEMBL2017946 0.76 LMNA (0.37) FBP1ARMAPTMEN1KMT2A
SCHEMBL9953176 0.71 LMNA (0.39) FBP1POLBMAPTGSK3AGSK3B
SCHEMBL2013606 0.69 AR (0.39) ARMEN1KMT2AACLY
SCHEMBL2017942 0.66 FBP1 (0.40) FBP1MAPTMEN1KMT2ALMNA
SCHEMBL28871470 0.65 TSHR (0.43) FBP1LMNAALDH1A1TSHR
SCHEMBL2015782 0.65 NT5E (0.36) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL18584769 0.65 ESR2 (0.50) MAPTALDH1A1
SCHEMBL68857 0.65 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL204410 0.63 TSHR (0.67) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 FBP1 3474/4885AR 39/4885POLB 2255/4885

“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.