SCHEMBL9918801

SCHEMBL9918801

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CDC7 O00311 3/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
PARP1 P09874 2/20 0.33
DGAT1 O75907 1/20 0.33
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9918751 0.73 CYP1A2 (0.42) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL9918796 0.71 DGAT1 (0.38) ALDH1A1KMT2AMAPTCDC7PARP1
SCHEMBL404648 0.67 MAPT (0.54) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL23011996 0.66 LMNA (0.49) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL3800705 0.66 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL590089 0.64 TDP1 (0.56) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL13844206 0.64 KMT2A (0.60) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL404749 0.64 ATM (0.52) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL10271931 0.64 ALDH1A1 (0.40) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2
SCHEMBL4485751 0.64 KMT2A (0.60) ALDH1A1LMNAKMT2ACYP3A4SMN1; SMN2

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
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885LMNA 4638/4885KMT2A 628/4885

“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.