SCHEMBL12559239

SCHEMBL12559239

O=C(O)c1occ(Br)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
CASP6 P55212 1/20 0.31
SRD5A2 P31213 1/20 0.31
TP53 P04637 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
SCHEMBL12559338 0.84 MAPK1 (0.35) GPR35ALDH1A1TDP1
SCHEMBL12559202 0.80 SMN1; SMN2 (0.42) ALDH1A1TDP1PKM
SCHEMBL11468226 0.78 TDP1 (0.39) ALDH1A1TDP1PKM
SCHEMBL3744691 0.71 CYP1A2 (0.33) ALDH1A1CYP1A2
SCHEMBL12559340 0.71 TDP1 (0.39) GPR35ALDH1A1CYP1A2TDP1
SCHEMBL12559229 0.68 GSK3B (0.31) CYP1A2
SCHEMBL12559242 0.68 GPR35 (0.39) GPR35CYP1A2TDP1
SCHEMBL12559204 0.68 PTPN1 (0.33)
SCHEMBL1475958 0.67 CA1 (0.42) GPR35ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7747923 0.67

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-20110144321-A1 SYNTHETIC INTERMEDIATES AND PROCESSES BIOCRYST PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
US-20110144321-A1 SYNTHETIC INTERMEDIATES AND PROCESSES BIOCRYST PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
WO-2010011748-A2 SYNTHETIC INTERMEDIATES AND PROCESSES BIOCRYST PHARMACEUTICALS, INC. (US) 2010-01-28 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-20110144321-A1 SYNTHETIC INTERMEDIATES AND PROCESSES G6PD, GALE, UGGT1 GPR35 3546/4885ALDH1A1 1126/4885CYP1A2 470/4885

“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.