SCHEMBL4646445

SCHEMBL4646445

O=[N+]([O-])c1cc(C(F)F)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HIF1A Q16665 2/20 0.42
VCAM1 P19320 3/20 0.40
ESPL1 Q14674 1/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
GPR35 Q9HC97 2/20 0.36
MAPT P10636 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL31153477 1.00 TDP1 (0.43) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28497717 0.86 TDP1 (0.43) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL30977460 0.81 ATM (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL14578462 0.81 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL123793 0.81 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29580289 0.81 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL30434858 0.79 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29739925 0.79 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL8967138 0.79 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL432601 0.79 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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 (1 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 TDP1 2775/4885ATM 2169/4885ALDH1A1 1574/4885

“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.