SCHEMBL1722175

SCHEMBL1722175

O=[N+]([O-])/C=C/c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.59
HSP90AA1 P07900 2/20 0.53
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
EGFR P00533 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
S1PR4 O95977 1/20 0.49
HPGD P15428 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR9 Q9NR96 1/20 0.49
MAPT P10636 2/20 0.46
CYP2A6 P11509 1/20 0.46

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
SCHEMBL15099321 0.79 FBP1 (0.77) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL16335663 0.79 FBP1 (0.77) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL6910818 0.76 FBP1 (0.78) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL6910815 0.76 FBP1 (0.78) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL219464 0.75 FBP1 (1.00) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL28528161 0.75 FBP1 (1.00) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL219463 0.75 FBP1 (1.00) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL7829067 0.75 FBP1 (0.91) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL7829071 0.75 FBP1 (0.91) FBP1HSP90AA1TLR4TLR2EGFR
SCHEMBL19088017 0.74 FBP1 (1.00) FBP1HSP90AA1TLR4TLR2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853455-B2 Process for preparing substituted 2-nitrobiphenyls BASF SE (DE) 2014-10-07 US disclosed
EP-2406210-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2012-01-18 EP disclosed
US-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls BASF SE (DE) 2011-12-29 US disclosed
WO-2010102980-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2010-09-16 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-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls CYP2J2, LTC4S, CYP1A2 FBP1 4024/4885HSP90AA1 3388/4885TLR4 1703/4885

“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.