SCHEMBL2501193

SCHEMBL2501193

O=[N+]([O-])c1ccc(Cl)cc1-c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 3/20 0.49
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
VCAM1 P19320 1/20 0.41
PDE7A Q13946 5/20 0.41
PDE7B Q9NP56 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.40
KIF18A Q8NI77 1/20 0.40
P2RX1 P51575 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
SCHEMBL2501212 0.87 MAPK1 (0.51) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL27735807 0.87 MAPK1 (0.59) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL25561346 0.85 MAPK1 (0.56) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL2502447 0.84 TDP1 (0.49) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL11516745 0.84 MAPK1 (0.69) MAPK1TSHRTDP1ALDH1A1MEN1
SCHEMBL9732213 0.81 MAPK1 (0.66) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL24030376 0.78 ALDH1A1 (0.53) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL2503092 0.78 MAPK1 (0.49) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL19997893 0.77 ALDH1A1 (0.61) MAPK1TSHRTDP1HSD11B1ALDH1A1
SCHEMBL5415102 0.77 PDE7A (0.58) MAPK1TSHRTDP1HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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 (2 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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 MAPK1 2122/4885TSHR 20/4885TDP1 1492/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 MAPK1 1142/4885TSHR 14/4885TDP1 1355/4885

“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.