SCHEMBL2500102

SCHEMBL2500102

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
ARNT P27540 1/20 0.35
EPAS1 Q99814 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL27756441 0.88 MAPT (0.39) TSHRTDP1ALDH1A1MAPTMAPK1
SCHEMBL2497558 0.86 TSHR (0.45) TSHRTDP1ALDH1A1MAPTGRIN2D
SCHEMBL550845 0.82 ALDH1A1 (0.43) TSHRTDP1ALDH1A1MAPTMAPK1
SCHEMBL31050080 0.82 ALDH1A1 (0.43) TSHRTDP1ALDH1A1MAPTMAPK1
SCHEMBL27756639 0.81 NPC1 (0.40) TSHRTDP1ALDH1A1MAPTMAPK1
SCHEMBL27735809 0.80 NPC1 (0.43) TSHRTDP1ALDH1A1MAPTMAPK1
SCHEMBL2498374 0.80 ARNT (0.38) TSHRTDP1ALDH1A1MAPTMAPK1
SCHEMBL2500048 0.79 ALDH1A1 (0.41) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL2498443 0.79 S100A4 (0.50) TDP1ALDH1A1MAPTMAPK1POLB
SCHEMBL2497057 0.76 HSD17B10 (0.42) TSHRALDH1A1MAPTMAPK1MEN1

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.