SCHEMBL4647775

SCHEMBL4647775

O=[N+]([O-])c1cc(F)c(C2CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.43
HIF1A Q16665 1/20 0.43
VCAM1 P19320 1/20 0.41
ESPL1 Q14674 1/20 0.40
MAPT P10636 9/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
MITF O75030 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL428251 0.84 TDP1 (0.41) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL4670199 0.79 TDP1 (0.62) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL24875900 0.79 VCAM1 (0.41) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL31434915 0.77 MAPT (0.43) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL22025650 0.77 MAPT (0.46) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL29976176 0.77 MAPT (0.46) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL1721609 0.76 PDGFRB (0.43) TDP1ALDH1A1HIF1AVCAM1MAPT
SCHEMBL430514 0.76 LMNA (0.43) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL29403879 0.75 TDP1 (0.58) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL58080 0.75 TDP1 (0.58) ATMTDP1ALDH1A1HIF1AVCAM1

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 5 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
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
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 ATM 2169/4885TDP1 2775/4885ALDH1A1 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.