SCHEMBL2497587

SCHEMBL2497587

O=[N+]([O-])c1cc(F)ccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
AHR P35869 4/20 0.43
HSD17B10 Q99714 1/20 0.43
DHFR P00374 1/20 0.41
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
APP P05067 1/20 0.40
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2499499 0.88 TDP1 (0.50) TDP1ATMAHRHSD17B10DHFR
SCHEMBL29962919 0.88 TDP1 (0.50) TDP1ATMAHRHSD17B10DHFR
SCHEMBL2495786 0.84 MAPK1 (0.53) MAPTAHRHSD17B10DHFRKDM4A
SCHEMBL15379986 0.83 TDP1 (0.55) MAPTTDP1ATMPTGS2ALDH1A1
SCHEMBL29563324 0.83 TDP1 (0.55) MAPTTDP1ATMPTGS2ALDH1A1
SCHEMBL2497892 0.81 TDP1 (0.53) MAPTTDP1ATMALDH1A1EIF4E
SCHEMBL687212 0.79 TDP1 (0.59) TDP1ATMHSD17B10TSHRMAPK1
SCHEMBL29563244 0.79 TDP1 (0.59) TDP1ATMHSD17B10TSHRMAPK1
SCHEMBL29462665 0.79 ATM (0.63) MAPTTDP1ATMMAPK1ALDH1A1
SCHEMBL1558204 0.79 ALDH1A1 (0.59) MAPTTDP1AHRHSD17B10DHFR

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 MAPT 4786/4885TDP1 1492/4885ATM 4132/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 MAPT 4795/4885TDP1 1355/4885ATM 3809/4885

“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.