SCHEMBL2497558

SCHEMBL2497558

O=[N+]([O-])c1c(Cl)cccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 4/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HSP90AA1 P07900 1/20 0.39
NOTUM Q6P988 2/20 0.37
GPR35 Q9HC97 1/20 0.36
S100A4 P26447 1/20 0.36
HPGD P15428 2/20 0.36
TLR8 Q9NR97 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL25561353 0.86 TDP1 (0.43) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL27756439 0.86 MEN1 (0.43) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL2500102 0.86 TSHR (0.40) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL670917 0.81 TSHR (0.58) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL26191609 0.80 ALDH1A1 (0.50) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL27756639 0.80 NPC1 (0.40) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL11901717 0.80 ALDH1A1 (0.45) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL4583260 0.79 ALDH1A1 (0.53) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL2498374 0.79 ARNT (0.38) TSHRTDP1ALDH1A1GRIN2DGRIN3B
Pyrrolnitrin SCHEMBL29376864 0.79 GRIN2D (0.39) TSHRTDP1ALDH1A1GRIN2DGRIN3B

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 TSHR 20/4885TDP1 1492/4885ALDH1A1 2554/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TSHR 14/4885TDP1 1355/4885ALDH1A1 1911/4885

“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.