SCHEMBL2497057

SCHEMBL2497057

O=[N+]([O-])c1c(F)cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
AHR P35869 4/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
APP P05067 2/20 0.39
RORC P51449 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
EIF4E P06730 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL2495875 0.86 HSD17B10 (0.46) HSD17B10AHRPTGER1PTGER3PTGER2
SCHEMBL2497952 0.83 NPC1 (0.42) PTGS2EIF4EAKR1C3AKR1C2TSHR
SCHEMBL2493681 0.79 ALDH1A1 (0.41) PTGS2PTGS1EIF4EAKR1C3AKR1C2
SCHEMBL27756441 0.78 MAPT (0.39) TSHRALDH1A1NPC1RAB9AMEN1
SCHEMBL28427977 0.78 AHR (0.56) HSD17B10AHREIF4EAKR1C3AKR1C2
SCHEMBL2234399 0.77 ALDH1A1 (0.53) CYP3A4AKR1C3AKR1C2ALDH1A1NPC1
SCHEMBL2500102 0.76 TSHR (0.40) TSHRALDH1A1NPC1RAB9AMEN1
SCHEMBL28010867 0.76 ALDH1A1 (0.41) CYP3A4TSHRALDH1A1NPC1RAB9A
SCHEMBL2501051 0.76 HSD17B10 (0.42) HSD17B10AHREIF4ECYP3A4TSHR
SCHEMBL31511380 0.76 PIN1 (0.42) ALDH1A1NPC1RAB9AMEN1MAPT

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 HSD17B10 850/4885AHR 12/4885PTGS2 4153/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 HSD17B10 563/4885AHR 24/4885PTGS2 4693/4885

“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.