SCHEMBL9918707

SCHEMBL9918707

CC(=O)c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 5/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2059687 0.80 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1
SCHEMBL12684536 0.79 MEN1 (0.30)
SCHEMBL9918705 0.77 CYP1A2 (0.42) ALDH1A1MAPK1
SCHEMBL9918793 0.72 MAPK1 (0.35) CA12CA9ALDH1A1MAPK1L3MBTL1
SCHEMBL17999872 0.69 MAP2K1 (0.35) ALDH1A1MAPK1HPGD
SCHEMBL2483256 0.66 ALDH1A1 (0.36) ALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL1160372 0.65 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1
SCHEMBL9918751 0.65 CYP1A2 (0.42) ALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL1518470 0.60 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1
SCHEMBL1518083 0.60 MAP2K1 (0.59) ALDH1A1HPGDL3MBTL1

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
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
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
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 CA12 2724/4885CA9 1154/4885ALDH1A1 1507/4885

“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.