SCHEMBL2497327

SCHEMBL2497327

O=[N+]([O-])c1ccc(Cl)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
EIF4E P06730 1/20 0.52
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AHR P35869 3/20 0.44
P2RX1 P51575 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
DHFR P00374 1/20 0.43
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL2495786 0.87 MAPK1 (0.53) TSHRMAPK1EIF4EHSD17B10AHR
SCHEMBL29962919 0.84 TDP1 (0.50) TSHRMAPK1EIF4EHSD17B10TDP1
SCHEMBL2499499 0.84 TDP1 (0.50) TSHRMAPK1EIF4EHSD17B10TDP1
SCHEMBL9732213 0.82 MAPK1 (0.66) TSHRMAPK1EIF4ETDP1P2RX1
SCHEMBL2500091 0.82 ALDH1A1 (0.55) TSHRMAPK1EIF4ETDP1LMNA
SCHEMBL11516745 0.82 MAPK1 (0.69) TSHRMAPK1TDP1LMNAPOLB
SCHEMBL29962438 0.81 ALDH1A1 (0.59) EIF4EHSD17B10TDP1AHRLMNA
SCHEMBL1558204 0.81 ALDH1A1 (0.59) EIF4EHSD17B10TDP1AHRLMNA
SCHEMBL23166960 0.80 MAPK1 (0.53) TSHRMAPK1EIF4ETDP1LMNA
SCHEMBL2551739 0.80 MAPK1 (0.53) TSHRMAPK1TDP1LMNAPOLB

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 20/4885MAPK1 2122/4885EIF4E 4475/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TSHR 14/4885MAPK1 1142/4885EIF4E 4519/4885

“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.