SCHEMBL2501212

SCHEMBL2501212

O=[N+]([O-])c1cc(Cl)ccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD11B1 P28845 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
VCAM1 P19320 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
PDE7A Q13946 5/20 0.44
LMNA P02545 2/20 0.44
PDE7B Q9NP56 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIF18A Q8NI77 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL2501193 0.87 MAPK1 (0.56) MAPK1TSHRMAPTHPGDHSD11B1
SCHEMBL28775421 0.87 MAPK1 (0.55) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL25561307 0.85 MAPK1 (0.52) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL2494368 0.84 TDP1 (0.45) MAPK1TSHRMAPTHPGDHSD11B1
SCHEMBL6125034 0.84 MAPK1 (0.63) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL17035132 0.78 ALDH1A1 (0.53) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL2503365 0.78 RAB9A (0.47) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL26191608 0.77 RAB9A (0.59) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL17068903 0.77 PDE7A (0.58) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL27756436 0.77 MAPT (0.49) MAPK1TSHRRAB9ANPC1MAPT

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 20/4885RAB9A 1678/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 MAPK1 1142/4885TSHR 14/4885RAB9A 1475/4885

“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.