SCHEMBL4635786

SCHEMBL4635786

Nc1cc(OC(F)F)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
NR4A1 P22736 1/20 0.35
DRD1 P21728 2/20 0.35
ALDH1A1 P00352 4/20 0.34
ATM Q13315 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 2/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL946714 0.84 SLC6A4 (0.40) ALOX15GFERADAM17NR4A1DRD1
SCHEMBL5951484 0.81 NR4A1 (0.56) ALOX15GFERADAM17NR4A1DRD1
SCHEMBL29373010 0.81 NR4A1 (0.56) ALOX15GFERADAM17NR4A1DRD1
Hydrochloric Acid SCHEMBL9526180 0.79 NR4A1 (0.54) ALOX15GFERADAM17NR4A1DRD1
SCHEMBL11074707 0.78 MEN1 (0.44) ALOX15GFERADAM17NR4A1DRD1
SCHEMBL22115481 0.76 NPSR1 (0.38) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL31241283 0.76 NPSR1 (0.38) ALOX15GFERADAM17DRD1ALDH1A1
Hydrochloric Acid SCHEMBL11068575 0.76 MEN1 (0.47) ALOX15GFERADAM17NR4A1DRD1
SCHEMBL18398370 0.76 ALOX15 (0.42) ALOX15GFERADAM17NR4A1DRD1
SCHEMBL29502984 0.76 ALDH1A1 (0.45) ALOX15GFERADAM17ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 ALOX15 3464/4885GFER 2567/4885ADAM17 2810/4885

“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.