SCHEMBL1722178

SCHEMBL1722178

O=[N+]([O-])C=Cc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.54
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
NPSR1 Q6W5P4 5/20 0.50
HTT P42858 3/20 0.50
ALOX12 P18054 2/20 0.50
RXRA P19793 1/20 0.49
TLR4 O00206 2/20 0.45
TLR2 O60603 2/20 0.45
HSP90AA1 P07900 3/20 0.45
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
PRMT1 Q99873 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL27673733 0.86 FBP1 (0.55) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL496 0.84 FBP1 (0.54) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL497 0.84 FBP1 (0.54) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL27979780 0.81 FBP1 (0.50) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL27947395 0.78 RXRA (0.54) FBP1ALDH1A1MAPTNPSR1ALOX12
SCHEMBL104147 0.75 HSP90AA1 (0.63) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL29925427 0.75 HSP90AA1 (0.63) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL104148 0.75 HSP90AA1 (0.63) FBP1ALDH1A1MAPTNPSR1HTT
SCHEMBL8921603 0.75 CDK4 (0.47) ALDH1A1MAPTPTGS2PTGS1MEN1
SCHEMBL1722175 0.74 FBP1 (0.59) FBP1ALDH1A1MAPTNPSR1TLR4

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 4024/4885ALDH1A1 1464/4885MAPT 4709/4885

“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.